Mca(1)-I-Tyr(2)-Sar(7)-Argipressin
[CAS# 119902-12-4]

Identification

• Name: Mca(1)-I-Tyr(2)-Sar(7)-Argipressin
• Synonyms: 1-Mca-2-I-tyr-7-sar-argipressin; Arginine vasopressin, mca(1)-I-tyr(2)-sar(7)-
• Molecular Formula: C₄₉H₆₉IN₁₄O₁₂S₂
• Molecular Weight: 1237.19
• CAS Registry Number: 119902-12-4
• SMILES: O=C(N)CNC(=O)[C@@H](NC(=O)CN(C(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CC2(SSC1)CCCCC2)Cc3ccc(O)c(I)c3)Cc4ccccc4)CCC(=O)N)CC(=O)N)C)CCC/N=C(\N)N
• InChI: 1S/C49H69IN14O12S2/c1-64(25-41(70)58-30(11-8-18-56-48(54)55)42(71)57-24-39(53)68)47(76)35-26-77-78-49(16-6-3-7-17-49)23-40(69)59-32(21-28-12-14-36(65)29(50)19-28)44(73)61-33(20-27-9-4-2-5-10-27)45(74)60-31(13-15-37(51)66)43(72)62-34(22-38(52)67)46(75)63-35/h2,4-5,9-10,12,14,19,30-35,65H,3,6-8,11,13,15-18,20-26H2,1H3,(H2,51,66)(H2,52,67)(H2,53,68)(H,57,71)(H,58,70)(H,59,69)(H,60,74)(H,61,73)(H,62,72)(H,63,75)(H4,54,55,56)/t30-,31-,32+,33-,34-,35-/m0/s1
• InChIKey: OXBOKDCRHMQXBL-XUVLUQBSSA-N

Properties

• Density: 1.641g/cm³ (Cal.)
• Refractive index: 1.711 (Cal.)