4-{2-[2-(2-{[1-(2-{2-[6-amino-2-(2-{[1-(2-amino-5-carbamimidamidopentanoyl)pyrrolidin-2-yl]formamido}-3-methylbutanamido)hexanamido]-3-methylbutanamido}-3-(4-hydroxyphenyl)propanoyl)pyrrolidin-2-yl]formamido}-3-carbamoylpropanamido)acetamido]propanamido}-4-{[2-carboxy-1-({3-carboxy-1-[(1-{[1-({3-carboxy-1-[(1-{[1-(2-{[1-({3-carboxy-1-[(1-carboxy-2-phenylethyl)carbamoyl]propyl}carbamoyl)-3-methylbutyl]carbamoyl}pyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamoyl}ethyl)carbamoyl]propyl}carbamoyl)ethyl]carbamoyl}-2-hydroxyethyl)carbamoyl]propyl}carbamoyl)ethyl]carbamoyl}butanoic acid

• ChemBase编号: 103739
• 分子式: C112H165N27O36
• 平均质量: 2465.6678
• 单一同位素质量: 2464.19105474
• SMILES: CC(C)CC(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)CNC(=O)C(CC(=O)N)NC(=O)C1CCCN1C(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(NC(=O)C1CCCN1C(=O)C(N)CCCNC(=N)N)C(C)C)C(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O
• Canonical SMILES: NCCCCC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(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)O)Cc1ccccc1)CCC(=O)O)CC(C)C)Cc1ccccc1)C)CCC(=O)O)C)CO)CCC(=O)O)CC(=O)O)CCC(=O)O)C)CC(=O)N)Cc1ccc(cc1)O)C(C)C)NC(=O)C(C(C)C)NC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)N
• InChI: InChI=1S/C112H165N27O36/c1-56(2)48-72(100(163)125-70(37-41-86(148)149)97(160)133-77(111(174)175)51-63-24-14-11-15-25-63)129-103(166)79-28-20-46-138(79)109(172)75(49-62-22-12-10-13-23-62)131-93(156)61(9)121-95(158)68(35-39-84(144)145)123-92(155)60(8)122-102(165)78(55-140)134-98(161)71(38-42-87(150)151)126-101(164)74(53-88(152)153)128-96(159)69(36-40-85(146)147)124-91(154)59(7)120-83(143)54-119-94(157)73(52-82(115)142)130-104(167)80-29-21-47-139(80)110(173)76(50-64-31-33-65(141)34-32-64)132-107(170)89(57(3)4)135-99(162)67(27-16-17-43-113)127-106(169)90(58(5)6)136-105(168)81-30-19-45-137(81)108(171)66(114)26-18-44-118-112(116)117/h10-15,22-25,31-34,56-61,66-81,89-90,140-141H,16-21,26-30,35-55,113-114H2,1-9H3,(H2,115,142)(H,119,157)(H,120,143)(H,121,158)(H,122,165)(H,123,155)(H,124,154)(H,125,163)(H,126,164)(H,127,169)(H,128,159)(H,129,166)(H,130,167)(H,131,156)(H,132,170)(H,133,160)(H,134,161)(H,135,162)(H,136,168)(H,144,145)(H,146,147)(H,148,149)(H,150,151)(H,152,153)(H,174,175)(H4,116,117,118)
• InChIKey: ZYDMZKPAPSZILB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-{2-[2-(2-{[1-(2-{2-[6-amino-2-(2-{[1-(2-amino-5-carbamimidamidopentanoyl)pyrrolidin-2-yl]formamido}-3-methylbutanamido)hexanamido]-3-methylbutanamido}-3-(4-hydroxyphenyl)propanoyl)pyrrolidin-2-yl]formamido}-3-carbamoylpropanamido)acetamido]propanamido}-4-{[2-carboxy-1-({3-carboxy-1-[(1-{[1-({3-carboxy-1-[(1-{[1-(2-{[1-({3-carboxy-1-[(1-carboxy-2-phenylethyl)carbamoyl]propyl}carbamoyl)-3-methylbutyl]carbamoyl}pyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamoyl}ethyl)carbamoyl]propyl}carbamoyl)ethyl]carbamoyl}-2-hydroxyethyl)carbamoyl]propyl}carbamoyl)ethyl]carbamoyl}butanoic acid
• IUPAC传统名: 4-{2-[2-(2-{[1-(2-{2-[6-amino-2-(2-{[1-(2-amino-5-carbamimidamidopentanoyl)pyrrolidin-2-yl]formamido}-3-methylbutanamido)hexanamido]-3-methylbutanamido}-3-(4-hydroxyphenyl)propanoyl)pyrrolidin-2-yl]formamido}-3-carbamoylpropanamido)acetamido]propanamido}-4-{[2-carboxy-1-({3-carboxy-1-[(1-{[1-({3-carboxy-1-[(1-{[1-(2-{[1-({3-carboxy-1-[(1-carboxy-2-phenylethyl)carbamoyl]propyl}carbamoyl)-3-methylbutyl]carbamoyl}pyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamoyl}ethyl)carbamoyl]propyl}carbamoyl)ethyl]carbamoyl}-2-hydroxyethyl)carbamoyl]propyl}carbamoyl)ethyl]carbamoyl}butanoic acid
• 别名: Adrenocorticotropic Hormone Fragment 18-39 human; Corticotropin-like Intermediate Lobe Peptide; CLIP; Arg-Pro-Val-Lys-Val-Tyr-Pro-Asn-Gly-Ala-Glu-Asp-Glu-Ser-Ala-Glu-Ala-Phe-Pro-Leu-Glu-Phe; ADRENOCORTICOTROPIC HORMONE, Fragment 18-39; Adrenocorticotropic hormone fragment 18-39; ProteoMass™ ACTH Fragment 18-39 MALDI-MS Standard

登记号

• CAS号: 53917-42-3
• MDL号: MFCD00076159
• PubChem SID: 162090432; 24890445; 24891334
• PubChem CID: 16133227

理论计算性质

• Acid pKa: 2.6343448
• 质子受体: 41
• 质子供体: 32
• LogD (pH = 5.5): -20.282282
• LogD (pH = 7.4): -26.594751
• Log P: -13.821955
• 摩尔折射率: 619.1551 cm^3
• 极化性: 238.45963 Å^3
• 极化表面积: 1006.02 Å^2
• 可自由旋转的化学键: 75
• 里宾斯基五规则: false

分子性质

安全信息

• 保存条件: 0°C
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

药理学性质

• 相关基因信息: human ... POMC(5443)

产品相关信息

• 纯度: ≥97% (HPLC)
• 包装: vial of 10 nmol
• Mol. Weight: monoisotopic mol wt 2,464.1989 Da

详细说明

MP Biomedicals - 02152723

Source/Species: Human

Sigma Aldrich - A0673

Amino Acid Sequence
Arg-Pro-Val-Lys-Val-Tyr-Pro-Asn-Gly-Ala-Glu-Asp-Glu-Ser-Ala-Glu-Ala-Phe-Pro-Leu-Glu-Phe
Biochem/physiol Actions
Facilitatory effect exerted on paradoxical sleep in the rat: stimulates insulin release.

Sigma Aldrich - A8346

Amino Acid Sequence
Arg-Pro-Val-Lys-Val-Tyr-Pro-Asn-Gly-Ala-Glu-Asp-Glu-Ser-Ala-Glu-Ala-Phe-Pro-Leu-Glu-Phe
Application
Peptide calibration standard for MALDI-MS instruments; 1 vial contains 10 nmols.
法律信息
ProteoMass is a trademark of Sigma-Aldrich Co. LLC

参考文献

• Larsson, L.I., Histochemistry, 55: 225, (1978).