1-{[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-13-benzyl-10-(cyclohexylmethyl)-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-L-arginylglycinamide
[CAS# 500170-27-4]

Identification

• Name: 1-{[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-13-benzyl-10-(cyclohexylmethyl)-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-L-arginylglycinamide
• Synonyms: d[Cha4]AVP; d[Cha4]-AVP
• Molecular Formula: C₅₀H₇₁N₁₃O₁₁S₂
• Molecular Weight: 1094.31
• CAS Registry Number: 500170-27-4
• SMILES: C1CCC(CC1)C[C@H]2C(=O)N[C@H](C(=O)N[C@@H](CSSCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N)CC(=O)N
• InChI: 1S/C50H71N13O11S2/c51-40(65)26-37-47(72)62-38(49(74)63-21-8-14-39(63)48(73)58-33(13-7-20-55-50(53)54)43(68)56-27-41(52)66)28-76-75-22-19-42(67)57-34(25-31-15-17-32(64)18-16-31)44(69)59-35(23-29-9-3-1-4-10-29)45(70)60-36(46(71)61-37)24-30-11-5-2-6-12-30/h1,3-4,9-10,15-18,30,33-39,64H,2,5-8,11-14,19-28H2,(H2,51,65)(H2,52,66)(H,56,68)(H,57,67)(H,58,73)(H,59,69)(H,60,70)(H,61,71)(H,62,72)(H4,53,54,55)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
• InChIKey: ZKYCVZNKBXGNEK-ZTYVOHGWSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Refractive index: 1.703 (Cal.)
• solubility: Soluble to 1 mg/ml in water