(1-Mercapto-4-Methylcyclohexaneacetic Acid)(1)-Argipressin
[CAS# 119617-71-9]

Identification

• Name: (1-Mercapto-4-Methylcyclohexaneacetic Acid)(1)-Argipressin
• Synonyms: 1-(1-Mercapto-4-methylcyclohexaneacetic acid)-8-D-argininevasopressin; 1-(1-Mercapto-4-methylcyclohexaneacetic acid)-argipressin; Arginine vasopressin, (1-mercapto-4-methylcyclohexaneacetic acid)(1)-
• Molecular Formula: C₅₂H₇₄N₁₄O₁₂S₂
• Molecular Weight: 1151.36
• CAS Registry Number: 119617-71-9
• SMILES: O=C(N)CNC(=O)[C@H](NC(=O)[C@H]5N(C(=O)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CC2(SSC1)CCC(C)CC2)Cc3ccc(O)cc3)Cc4ccccc4)CCC(=O)N)CC(=O)N)CCC5)CCC/N=C(\N)N
• InChI: 1S/C52H74N14O12S2/c1-29-17-19-52(20-18-29)26-43(71)60-35(24-31-11-13-32(67)14-12-31)46(74)63-36(23-30-7-3-2-4-8-30)47(75)61-34(15-16-40(53)68)45(73)64-37(25-41(54)69)48(76)65-38(28-79-80-52)50(78)66-22-6-10-39(66)49(77)62-33(9-5-21-58-51(56)57)44(72)59-27-42(55)70/h2-4,7-8,11-14,29,33-39,67H,5-6,9-10,15-28H2,1H3,(H2,53,68)(H2,54,69)(H2,55,70)(H,59,72)(H,60,71)(H,61,75)(H,62,77)(H,63,74)(H,64,73)(H,65,76)(H4,56,57,58)/t29?,33-,34+,35+,36-,37+,38-,39+,52?/m1/s1
• InChIKey: UNSADRFQSKUHRA-ZHJLIMNKSA-N

Properties

• Density: 1.523g/cm³ (Cal.)
• Refractive index: 1.705 (Cal.)