1-(1-Mercaptocyclohexaneacetic acid)-2-(O-methyl-L-tyrosine)-4-L-valine-8-L-arginine-Vasopressin
[CAS# 77403-97-5]

Identification

• Name: 1-(1-Mercaptocyclohexaneacetic acid)-2-(O-methyl-L-tyrosine)-4-L-valine-8-L-arginine-Vasopressin
• Synonyms: (2S)-N-[(1S)-1-[(2-Amino-2-Oxo-Ethyl)Carbamoyl]-4-Guanidino-Butyl]-1-[(10R,13S,16S,19S,22S)-13-(2-Amino-2-Oxo-Ethyl)-16-Isopropyl-22-[(4-Methoxyphenyl)Methyl]-12,15,18,21,24-Pentaoxo-19-(Phenylmethyl)7,8-Dithia-11,14,17,20,23-Pentazaspiro[5.19]Pentacosane-10-Carbonyl]Pyrrolidine-2-Carboxamide; (2S)-N-[(1S)-1-[[(2-Amino-2-Oxoethyl)Amino]-Oxomethyl]-4-Guanidinobutyl]-1-[[(10R,13S,16S,19S,22S)-13-(2-Amino-2-Oxoethyl)-16-Isopropyl-22-[(4-Methoxyphenyl)Methyl]-12,15,18,21,24-Pentaoxo-19-(Phenylmethyl)-7,8-Dithia-11,14,17,20,23-Pentazaspiro[5.19]Pentacosan-10-Yl]-Oxomethyl]-2-Pyrrolidinecarboxamide; (2S)-1-[(10R,13S,16S,19S,22S)-13-(2-Amino-2-Keto-Ethyl)-19-(Benzyl)-16-Isopropyl-12,15,18,21,24-Pentaketo-22-(4-Methoxybenzyl)7,8-Dithia-11,14,17,20,23-Pentazaspiro[5.19]Pentacosane-10-Carbonyl]-N-[(1S)-1-[(2-Amino-2-Keto-Ethyl)Carbamoyl]-4-Guanidino-Butyl]Pyrrolidine-2-Carboxamide
• Molecular Formula: C₅₂H₇₅N₁₃O₁₁S₂
• Molecular Weight: 1122.37
• CAS Registry Number: 77403-97-5
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@H]2NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC3(SSC2)CCCCC3)CC4=CC=C(OC)C=C4)CC5=CC=CC=C5)C(C)C)CC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N
• InChI: 1S/C52H75N13O11S2/c1-30(2)43-49(74)62-37(26-40(53)66)46(71)63-38(50(75)65-23-11-15-39(65)48(73)60-34(14-10-22-57-51(55)56)44(69)58-28-41(54)67)29-77-78-52(20-8-5-9-21-52)27-42(68)59-35(25-32-16-18-33(76-3)19-17-32)45(70)61-36(47(72)64-43)24-31-12-6-4-7-13-31/h4,6-7,12-13,16-19,30,34-39,43H,5,8-11,14-15,20-29H2,1-3H3,(H2,53,66)(H2,54,67)(H,58,69)(H,59,68)(H,60,73)(H,61,70)(H,62,74)(H,63,71)(H,64,72)(H4,55,56,57)/t34-,35-,36-,37-,38-,39-,43-/m0/s1
• InChIKey: PKYIYKFMOOJYFL-NLGBYHCPSA-N

Properties

• Density: 1.459g/cm³ (Cal.)