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11097-48-6 分子结构
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(4S)-4-{[(1S)-1-[({[({2-[(2S)-2-[({[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}pentyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]-3-carboxypropyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-4-carbamoyl-1-oxobutan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]ethyl]carbamoyl}methyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl}carbamoyl)methyl]carbamoyl}methyl)carbamoyl]-3-methylbutyl]carbamoyl}-4-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-4-carboxybutanamido]propanamido]-4-carboxybutanamido]-3-carboxypropanamido]-4-methylpentanamido]-4-carbamoylbutanamido]-3-methylbutanamido]acetamido}-4-carbamoylbutanamido]-3-methylbutanamido]butanoic acid

ChemBase编号:130981
分子式:C153H259N49O52
平均质量:3616.99066
单一同位素质量:3614.91286977
SMILES和InChIs

SMILES:
C[C@@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N
Canonical SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCCNC(=N)N)CCC(=O)O)C)CCC(=O)O)CC(=O)O)CC(C)C)CCC(=O)N)CCC(=O)N)CCC(=O)O)CC(C)C)C)CO)CC(C)C)CCC(=O)N)CC(C)C)C)CC(C)C)CCC(=O)O)CO)CC(C)C)CCC(=O)N
InChI:
InChI=1S/C153H259N49O52/c1-71(2)55-94(193-134(237)91(40-48-119(222)223)189-148(251)122(78(15)16)200-135(238)86(33-41-105(156)205)179-112(212)67-175-147(250)121(77(13)14)199-136(239)88(35-43-107(158)207)188-139(242)97(58-74(7)8)194-142(245)100(61-120(224)225)197-133(236)90(39-47-118(220)221)182-124(227)80(18)177-129(232)89(38-46-117(218)219)186-130(233)84(29-23-51-167-152(162)163)183-126(229)82(155)27-22-50-166-151(160)161)128(231)172-63-110(210)169-62-109(209)170-68-115(215)201-53-25-31-103(201)145(248)174-64-111(211)176-79(17)123(226)171-65-113(213)180-101(69-203)144(247)196-99(60-76(11)12)141(244)190-92(36-44-108(159)208)149(252)202-54-26-32-104(202)146(249)198-95(56-72(3)4)137(240)178-81(19)125(228)192-96(57-73(5)6)138(241)185-85(37-45-116(216)217)127(230)173-66-114(214)181-102(70-204)143(246)195-98(59-75(9)10)140(243)187-87(34-42-106(157)206)132(235)184-83(28-20-21-49-154)131(234)191-93(150(253)254)30-24-52-168-153(164)165/h71-104,121-122,203-204H,20-70,154-155H2,1-19H3,(H2,156,205)(H2,157,206)(H2,158,207)(H2,159,208)(H,169,210)(H,170,209)(H,171,226)(H,172,231)(H,173,230)(H,174,248)(H,175,250)(H,176,211)(H,177,232)(H,178,240)(H,179,212)(H,180,213)(H,181,214)(H,182,227)(H,183,229)(H,184,235)(H,185,241)(H,186,233)(H,187,243)(H,188,242)(H,189,251)(H,190,244)(H,191,234)(H,192,228)(H,193,237)(H,194,245)(H,195,246)(H,196,247)(H,197,236)(H,198,249)(H,199,239)(H,200,238)(H,216,217)(H,218,219)(H,220,221)(H,222,223)(H,224,225)(H,253,254)(H4,160,161,166)(H4,162,163,167)(H4,164,165,168)/t79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,121-,122-/m0/s1
InChIKey:
JEPNOJXFZHBCTB-ZCUALFGZSA-N

引用这个纪录

CBID:130981 http://www.chembase.cn/molecule-130981.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
(4S)-4-{[(1S)-1-[({[({2-[(2S)-2-[({[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}pentyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]-3-carboxypropyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-4-carbamoyl-1-oxobutan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]ethyl]carbamoyl}methyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl}carbamoyl)methyl]carbamoyl}methyl)carbamoyl]-3-methylbutyl]carbamoyl}-4-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-4-carboxybutanamido]propanamido]-4-carboxybutanamido]-3-carboxypropanamido]-4-methylpentanamido]-4-carbamoylbutanamido]-3-methylbutanamido]acetamido}-4-carbamoylbutanamido]-3-methylbutanamido]butanoic acid
IUPAC传统名
(4S)-4-{[(1S)-1-[({[({2-[(2S)-2-[({[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}pentyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]-3-carboxypropyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-4-carbamoyl-1-oxobutan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]ethyl]carbamoyl}methyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl}carbamoyl)methyl]carbamoyl}methyl)carbamoyl]-3-methylbutyl]carbamoyl}-4-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-4-carboxybutanamido]propanamido]-4-carboxybutanamido]-3-carboxypropanamido]-4-methylpentanamido]-4-carbamoylbutanamido]-3-methylbutanamido]acetamido}-4-carbamoylbutanamido]-3-methylbutanamido]butanoic acid
别名
Arg-Arg-Glu-Ala-Glu-Asp-Leu-Gln-Val-Gly-Gln-Val-Glu-Leu-Gly-Gly-Gly-Pro-Gly-Ala-Gly-Ser-Leu-Gln-Pro-Leu-Ala-Leu-Glu-Gly-Ser-Leu-Gln-Lys-Arg
Insulin C chain
C-Peptide human
Proinsulin connecting peptide
Proinsulin C-Peptide (55-89) human
CAS号
11097-48-6
MDL号
MFCD00076294
PubChem SID
162225259
PubChem CID
71308369

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID 价格
Sigma Aldrich
C5051 external link 加入购物车 请登录
C4999 external link 加入购物车 请登录
数据来源 数据ID
PubChem 71308369 external link

理论计算性质

理论计算性质

JChem
Acid pKa 2.8132796  质子受体 63 
质子供体 55  LogD (pH = 5.5) -32.460236 
LogD (pH = 7.4) -35.845196  Log P -30.076523 
摩尔折射率 912.887 cm3 极化性 345.36166 Å3
极化表面积 1646.18 Å2 可自由旋转的化学键 125 
里宾斯基五规则 false 

分子性质

分子性质

安全信息 药理学性质 产品相关信息 生物活性(PubChem)
MSDS下载
下载链接 expand 查看数据来源
德国WGK号
3 expand 查看数据来源
个人保护装置
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand 查看数据来源
保存温度
-20°C expand 查看数据来源
相关基因信息
human ... INS(3630) expand 查看数据来源
纯度
≥95% (HPLC) expand 查看数据来源
Empirical Formula (Hill Notation)
C153H259N49O52 expand 查看数据来源

详细说明

详细说明

Sigma Aldrich Sigma Aldrich
Sigma Aldrich -  C5051 external link
Biochem/physiol Actions
In proinsulin the insulin A and B chains are linked by C peptide. During the biosynthesis of insulin, the C peptide promotes proper protein folding and disulfide bond placement after which it is cleaved. The cleaved peptide may inhibit insulin aggregation and is stored and released from the β cells with insulin in a one-to-one molar ratio. C peptide is a marker for β cell function in vivo; levels are enhanced in insulin resistance or insuloma and reduced in insulin insufficiency (type I diabetes). C peptide may alleviate the vascular damage and neuropathy associated with insulin depletion.
Sigma Aldrich -  C4999 external link
Amino Acid Sequence
Arg-Arg-Glu-Ala-Glu-Asp-Leu-Gln-Val-Gly-Gln-Val-Glu-Leu-Gly-Gly-Gly-Pro-Gly-Ala-Gly-Ser-Leu-Gln-Pro-Leu-Ala-Leu-Glu-Gly-Ser-Leu-Gln-Lys-Arg
Other Notes
Human proinsulin, the single-chain peptide precursor of insulin, consists of the insulin A and B chains connected by the 31 amino acid C-peptide. Cleavage of proinsulin by proteolytic enzymes produces insulin and free C-peptide. The product here is the 35-mer peptide (Arg-Arg-C-Peptide-Lys-Arg) observed to separate the insulin A and B chains.1
Biochem/physiol Actions
C-Peptide Fragment (55-89) is a fragment derived from the proinsulin C-peptide. C-peptide has cell signaling activity that involves calcium-dependent intracellular signaling. C-Peptide Fragment 55-89 may be used to help researchers understand the role of specific sequences within the C-peptide in binding, conformation and function of C-peptide.
C-Peptide was initially thought to have no intrinsic biological activity. More recent research has identified multiple biological effects of C-peptide, including binding to cell membranes, activation of signaling pathways, and stimulation of Na+,K+-ATPase and endothelial nitric oxide synthetase. However, the exact function of C-peptide is unclear due to conflicting physiological effects.

参考文献

参考文献

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专利

专利

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