您当前所在的位置:首页 > 产品中心 > 产品详细信息
57014-02-5 分子结构
点击图片或这里关闭

4-[(1-{[1-({5-amino-1-[(1-{[1-({1-[(1-{2-[(4-carbamimidamido-1-{[1-({1-[(1-{[({1-[({[1-(2-carbamoylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]carbamoyl}methyl)carbamoyl]ethyl}carbamoyl)methyl]carbamoyl}-2-methylpropyl)carbamoyl]-2-carboxyethyl}carbamoyl)-2-hydroxypropyl]carbamoyl}butyl)carbamoyl]pyrrolidin-1-yl}-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)carbamoyl]-2-hydroxypropyl}carbamoyl)-3-carbamoylpropyl]carbamoyl}-3-methylbutyl)carbamoyl]pentyl}carbamoyl)-2-(1H-imidazol-5-yl)ethyl]carbamoyl}-3-methylbutyl)carbamoyl]-4-(2-{2-[2-(6-amino-2-{2-[2-(2-{[22-amino-16-(carbamoylmethyl)-7-(1-hydroxyethyl)-10,19-bis(hydroxymethyl)-13-(2-methylpropyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexaazacyclotricosan-4-yl]formamido}-3-methylbutanamido)-4-methylpentanamido]acetamido}hexanamido)-4-methylpentanamido]-3-hydroxypropanamido}-4-carbamoylbutanamido)butanoic acid

ChemBase编号:133164
分子式:C146H241N43O47S2
平均质量:3414.86564
单一同位素质量:3412.72314407
SMILES和InChIs

SMILES:
CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CC(=O)N)CO)N)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(C(C)O)C(=O)NC(Cc1ccc(cc1)O)C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)NCC(=O)NC(C)C(=O)NCC(=O)NC(C(C)O)C(=O)N1CCCC1C(=O)N)C(C)O)CO
Canonical SMILES:
NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N)C(O)C)C)C(C)C)CC(=O)O)C(O)C)CCCNC(=N)N)Cc1ccc(cc1)O)C(O)C)CCC(=O)N)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(C(C)C)NC(=O)C1CSSCC(N)C(=O)NC(CO)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(O)C)CO)CC(C)C)CC(=O)N)CC(C)C)CCCCN)CC(C)C)CO)CCC(=O)N)CCC(=O)O)CC(C)C)Cc1[nH]cnc1
InChI:
InChI=1S/C146H241N43O47S2/c1-66(2)47-88(175-140(231)112(72(13)14)184-137(228)100-64-238-237-63-81(149)119(210)178-97(60-190)135(226)174-94(54-105(152)200)132(223)172-92(51-70(9)10)130(221)180-99(62-192)136(227)187-115(76(18)195)143(234)181-100)120(211)159-58-107(202)163-82(27-20-22-42-147)121(212)169-91(50-69(7)8)129(220)179-98(61-191)134(225)167-85(36-39-103(150)198)123(214)165-87(38-41-109(204)205)124(215)171-90(49-68(5)6)128(219)173-93(53-79-56-156-65-161-79)131(222)164-83(28-21-23-43-148)122(213)170-89(48-67(3)4)127(218)166-86(37-40-104(151)199)126(217)186-114(75(17)194)142(233)177-96(52-78-32-34-80(197)35-33-78)144(235)189-46-26-31-102(189)138(229)168-84(29-24-44-157-146(154)155)125(216)185-113(74(16)193)141(232)176-95(55-110(206)207)133(224)183-111(71(11)12)139(230)160-57-106(201)162-73(15)118(209)158-59-108(203)182-116(77(19)196)145(236)188-45-25-30-101(188)117(153)208/h32-35,56,65-77,81-102,111-116,190-197H,20-31,36-55,57-64,147-149H2,1-19H3,(H2,150,198)(H2,151,199)(H2,152,200)(H2,153,208)(H,156,161)(H,158,209)(H,159,211)(H,160,230)(H,162,201)(H,163,202)(H,164,222)(H,165,214)(H,166,218)(H,167,225)(H,168,229)(H,169,212)(H,170,213)(H,171,215)(H,172,223)(H,173,219)(H,174,226)(H,175,231)(H,176,232)(H,177,233)(H,178,210)(H,179,220)(H,180,221)(H,181,234)(H,182,203)(H,183,224)(H,184,228)(H,185,216)(H,186,217)(H,187,227)(H,204,205)(H,206,207)(H4,154,155,157)
InChIKey:
JDJALSWDQPEHEJ-UHFFFAOYSA-N

引用这个纪录

CBID:133164 http://www.chembase.cn/molecule-133164.html

Collapse All Expand All

名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
4-[(1-{[1-({5-amino-1-[(1-{[1-({1-[(1-{2-[(4-carbamimidamido-1-{[1-({1-[(1-{[({1-[({[1-(2-carbamoylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]carbamoyl}methyl)carbamoyl]ethyl}carbamoyl)methyl]carbamoyl}-2-methylpropyl)carbamoyl]-2-carboxyethyl}carbamoyl)-2-hydroxypropyl]carbamoyl}butyl)carbamoyl]pyrrolidin-1-yl}-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)carbamoyl]-2-hydroxypropyl}carbamoyl)-3-carbamoylpropyl]carbamoyl}-3-methylbutyl)carbamoyl]pentyl}carbamoyl)-2-(1H-imidazol-5-yl)ethyl]carbamoyl}-3-methylbutyl)carbamoyl]-4-(2-{2-[2-(6-amino-2-{2-[2-(2-{[22-amino-16-(carbamoylmethyl)-7-(1-hydroxyethyl)-10,19-bis(hydroxymethyl)-13-(2-methylpropyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexaazacyclotricosan-4-yl]formamido}-3-methylbutanamido)-4-methylpentanamido]acetamido}hexanamido)-4-methylpentanamido]-3-hydroxypropanamido}-4-carbamoylbutanamido)butanoic acid
IUPAC传统名
4-[(1-{[1-({5-amino-1-[(1-{[1-({1-[(1-{2-[(4-carbamimidamido-1-{[1-({1-[(1-{[({1-[({[1-(2-carbamoylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]carbamoyl}methyl)carbamoyl]ethyl}carbamoyl)methyl]carbamoyl}-2-methylpropyl)carbamoyl]-2-carboxyethyl}carbamoyl)-2-hydroxypropyl]carbamoyl}butyl)carbamoyl]pyrrolidin-1-yl}-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)carbamoyl]-2-hydroxypropyl}carbamoyl)-3-carbamoylpropyl]carbamoyl}-3-methylbutyl)carbamoyl]pentyl}carbamoyl)-2-(3H-imidazol-4-yl)ethyl]carbamoyl}-3-methylbutyl)carbamoyl]-4-(2-{2-[2-(6-amino-2-{2-[2-(2-{[22-amino-16-(carbamoylmethyl)-7-(1-hydroxyethyl)-10,19-bis(hydroxymethyl)-13-(2-methylpropyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexaazacyclotricosan-4-yl]formamido}-3-methylbutanamido)-4-methylpentanamido]acetamido}hexanamido)-4-methylpentanamido]-3-hydroxypropanamido}-4-carbamoylbutanamido)butanoic acid
别名
Cys-Ser-Asn-Leu-Ser-Thr-Cys-Val-Leu-Gly-Lys-Leu-Ser-Gln-Glu-Leu-His-Lys-Leu-Gln-Thr-Tyr-Pro-Arg-Thr-Asp-Val-Gly-Ala-Gly-Thr-Pro-NH2 [Disulfide bridge: 1–7]
Thyrocalcitonin Eel
Calcitonin eel
CAS号
57014-02-5
MDL号
MFCD00133858
PubChem SID
24899953
162227441
PubChem CID
16133221

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
T1284 external link 加入购物车 请登录
数据来源 数据ID
PubChem 16133221 external link

理论计算性质

理论计算性质

JChem
Acid pKa 3.3256662  质子受体 54 
质子供体 50  LogD (pH = 5.5) -31.934612 
LogD (pH = 7.4) -29.181513  Log P -27.206123 
摩尔折射率 851.2733 cm3 极化性 330.44113 Å3
极化表面积 1461.96 Å2 可自由旋转的化学键 97 
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)
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
mouse ... Edn1(13614) expand 查看数据来源
纯度
≥97% (HPLC) expand 查看数据来源

详细说明

详细说明

Sigma Aldrich Sigma Aldrich
Sigma Aldrich -  T1284 external link
Amino Acid Sequence
Cys-Ser-Asn-Leu-Ser-Thr-Cys-Val-Leu-Gly-Lys-Leu-Ser-Gln-Glu-Leu-His-Lys-Leu-Gln-Thr-Tyr-Pro-Arg-Thr-Asp-Val-Gly-Ala-Gly-Thr-Pro-NH2 [Disulfide bridge: 1–7]
Biochem/physiol Actions
Hypocalcemic hormone produced by the parafollicular C cells of the thyroid or by the ultimobranchial bodies of nonmammalian vertebrates. Decreases blood calcium and phosphate due to inhibition of resorption by osteoblasts and osteocytes.
Other Notes
A 32 amino acid polypeptide, 8 of which are conserved across all species.

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    暂无数据
正在搜索,请耐心等待...(如果遇到网页错误或者长时间没有结果,请刷新页面[F5])

专利

专利

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

互联网资源

互联网资源

百度图标百度 google iconGoogle