1-beta Mercapto-beta,beta-Cyclopentamethylenepropionic Acid-2-(O-Methyltyr)-9-Lys(N(Epsilon)-Biotinamidocaproate)Nh2-Avp
[CAS# 135484-50-3]

Identification

• Name: 1-beta Mercapto-beta,beta-Cyclopentamethylenepropionic Acid-2-(O-Methyltyr)-9-Lys(N(Epsilon)-Biotinamidocaproate)Nh2-Avp
• Synonyms: Albtnavp; Argipressin, Beta Mercapto-(Beta,Beta Cyclopentamethylenepropionic Acid)-(1)-O-Methyltyrosyl(2)-Lysyl-(N-Epsilon-Bitotinamidocaproate)Nh2(9)-; Argipressin, Beta Mercapto-Beta,Beta-Cyclopentamethylenepropionic Acid(1)-O-Methyl-Tyr(2)-Lys-(N(Epsilon)-Biotinamidocaproate)Nh2(9)-
• Molecular Formula: C₇₂H₁₀₈N₁₈O₁₅S₃
• Molecular Weight: 1561.94
• CAS Registry Number: 135484-50-3
• SMILES: C7=C(CC5C(NC(CCC(N)=O)C(NC(CC(N)=O)C(NC(C(N3C(C(=O)NC(CCCNC(N)=N)C(N(CC(N)=O)CCCCNC(CCCCCNC(CCCCC1SCC2NC(NC12)=O)=O)=O)=O)CCC3)=O)CSSC4(CCCCC4)CC(NC(C(N5)=O)CC6=CC=C(C=C6)OC)=O)=O)=O)=O)C=CC=C7
• InChI: 1S/C72H108N18O15S3/c1-105-46-26-24-45(25-27-46)38-49-64(98)84-50(37-44-17-5-2-6-18-44)65(99)82-47(28-29-56(73)91)63(97)85-51(39-57(74)92)66(100)86-53(43-107-108-72(40-61(96)81-49)30-10-4-11-31-72)69(103)90-36-16-20-54(90)67(101)83-48(19-15-34-80-70(76)77)68(102)89(41-58(75)93)35-14-13-33-79-59(94)22-7-3-12-32-78-60(95)23-9-8-21-55-62-52(42-106-55)87-71(104)88-62/h2,5-6,17-18,24-27,47-55,62H,3-4,7-16,19-23,28-43H2,1H3,(H2,73,91)(H2,74,92)(H2,75,93)(H,78,95)(H,79,94)(H,81,96)(H,82,99)(H,83,101)(H,84,98)(H,85,97)(H,86,100)(H4,76,77,80)(H2,87,88,104)
• InChIKey: MXBHJPJLOBJOBG-UHFFFAOYSA-N

Properties

• Density: 1.47g/cm³ (Cal.)