1-(1-Mercaptocyclohexaneacetic acid)-2-D-tyrosine-4-L-valine-8-L-arginine-Vasopressin
[CAS# 81094-15-7]

Identification

• Name: 1-(1-Mercaptocyclohexaneacetic acid)-2-D-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,22R)-13-(2-Amino-2-Oxo-Ethyl)-22-[(4-Hydroxyphenyl)Methyl]-16-Isopropyl-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,22R)-13-(2-Amino-2-Oxoethyl)-22-[(4-Hydroxyphenyl)Methyl]-16-Isopropyl-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,22R)-13-(2-Amino-2-Keto-Ethyl)-19-(Benzyl)-22-(4-Hydroxybenzyl)-16-Isopropyl-12,15,18,21,24-Pentaketo-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: C₅₁H₇₃N₁₃O₁₁S₂
• Molecular Weight: 1108.34
• CAS Registry Number: 81094-15-7
• 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(O)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/C51H73N13O11S2/c1-29(2)42-48(74)61-36(25-39(52)66)45(71)62-37(49(75)64-22-10-14-38(64)47(73)59-33(13-9-21-56-50(54)55)43(69)57-27-40(53)67)28-76-77-51(19-7-4-8-20-51)26-41(68)58-34(24-31-15-17-32(65)18-16-31)44(70)60-35(46(72)63-42)23-30-11-5-3-6-12-30/h3,5-6,11-12,15-18,29,33-38,42,65H,4,7-10,13-14,19-28H2,1-2H3,(H2,52,66)(H2,53,67)(H,57,69)(H,58,68)(H,59,73)(H,60,70)(H,61,74)(H,62,71)(H,63,72)(H4,54,55,56)/t33-,34+,35-,36-,37-,38-,42-/m0/s1
• InChIKey: FTPKAQCWQHOBMR-YHKRPXQSSA-N

Properties

• Density: 1.487g/cm³ (Cal.)