beta-Mercapto-beta,beta-Cyclopentamethylenepropionic Acid(1)-Val(4)-Argipressin
[CAS# 65647-03-2]

Identification

• Name: beta-Mercapto-beta,beta-Cyclopentamethylenepropionic Acid(1)-Val(4)-Argipressin
• Synonyms: Arginine Vasopressin, Mercapto-Beta,Beta-Cyclopentamethylenepropionic Acid(1)-Val(4)-; Argipressin, Beta-Mercapto-Beta,Beta-Cyclopentamethylenepropionic Acid(1)-Val(4)-; Argipressin, Beta-Mercapto-Beta,Beta-Cyclopentamethylenepropionic Acid(1)-Valine(4)-
• Molecular Formula: C₅₁H₇₃N₁₃O₁₁S₂
• Molecular Weight: 1108.34
• CAS Registry Number: 65647-03-2
• SMILES: [C@H](NC(=O)CC1CCCCC1)(CC24SC2=C3SC3(O)C=C4)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N6[C@@H](CCC6)C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N)C)CC(=O)N
• InChI: 1S/C51H73N13O11S2/c1-27(2)39(47(73)62-33(24-36(52)65)43(69)58-28(3)48(74)64-21-11-17-35(64)46(72)60-31(16-10-20-56-49(54)55)42(68)57-26-37(53)66)63-44(70)32(22-29-12-6-4-7-13-29)61-45(71)34(59-38(67)23-30-14-8-5-9-15-30)25-50-18-19-51(75)41(77-51)40(50)76-50/h4,6-7,12-13,18-19,27-28,30-35,39,75H,5,8-11,14-17,20-26H2,1-3H3,(H2,52,65)(H2,53,66)(H,57,68)(H,58,69)(H,59,67)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H4,54,55,56)/t28-,31+,32-,33-,34-,35-,39-,50?,51?/m0/s1
• InChIKey: XUQKEOSYGYYCLL-KQYGYMALSA-N

Properties

• Density: 1.537g/cm³ (Cal.)