N(Alpha)-(1-Adamantanesulfonyl)-N(Epsilon)-(4-Carboxybenzoyl)Lysyl-Alanyl-Valinal
[CAS# 97143-05-0]

Identification

• Name: N(Alpha)-(1-Adamantanesulfonyl)-N(Epsilon)-(4-Carboxybenzoyl)Lysyl-Alanyl-Valinal
• Synonyms: 4-[[5-(1-Adamantylsulfonylamino)-6-[[2-[(1-Formyl-2-Methyl-Propyl)Amino]-1-Methyl-2-Oxo-Ethyl]Amino]-6-Oxo-Hexyl]Carbamoyl]Benzoic Acid; 4-[[[5-(1-Adamantylsulfonylamino)-6-[[2-[(1-Formyl-2-Methylpropyl)Amino]-1-Methyl-2-Oxoethyl]Amino]-6-Oxohexyl]Amino]-O
• Molecular Formula: C₃₂H₄₆N₄O₈S
• Molecular Weight: 646.80
• CAS Registry Number: 97143-05-0
• SMILES: C4=C(C(=O)NCCCCC(N[S](=O)(=O)C12CC3CC(C1)CC(C2)C3)C(=O)NC(C(=O)NC(C=O)C(C)C)C)C=CC(=C4)C(=O)O
• InChI: 1S/C32H46N4O8S/c1-19(2)27(18-37)35-28(38)20(3)34-30(40)26(6-4-5-11-33-29(39)24-7-9-25(10-8-24)31(41)42)36-45(43,44)32-15-21-12-22(16-32)14-23(13-21)17-32/h7-10,18-23,26-27,36H,4-6,11-17H2,1-3H3,(H,33,39)(H,34,40)(H,35,38)(H,41,42)
• InChIKey: HHBPTDLSSJJCKV-UHFFFAOYSA-N

Properties

• Density: 1.317g/cm³ (Cal.)