Ascb-lys-ala-val

4-[[5-(1-adamantylsulfonylamino)-6-[[1-[(3-methyl-1-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-6-oxohexyl]carbamoyl]benzoic acid

CAS: 97143-05-0

Molecular Formula	`C32H46N4O8S`
Molecular Weight	646.8 g/mol
LogP	3.6
Topological Polar Surface Area	196.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	9
Rotatable Bonds	16
Exact Mass	646.30365
Heavy Atoms	45
Complexity	1170.0

Chemical Identifiers

CAS Number	97143-05-0
SMILES	`CC(C)C(C=O)NC(=O)C(C)NC(=O)C(CCCCNC(=O)C1=CC=C(C=C1)C(=O)O)NS(=O)(=O)C23CC4CC(C2)CC(C4)C3`
InChIKey	`HHBPTDLSSJJCKV-UHFFFAOYSA-N`

📖 Product Overview

Ascb-lys-ala-val (CAS: 97143-05-0) is a chemical compound with molecular formula C32H46N4O8S and molecular weight 646.8 g/mol. Its IUPAC systematic name is 4-[[5-(1-adamantylsulfonylamino)-6-[[1-[(3-methyl-1-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-6-oxohexyl]carbamoyl]benzoic acid. LogP 3.6 Topological Polar Surface Area 196.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 9 Rotatable Bonds 16 Exact Mass 646.30365 Heavy Atoms 45 Complexity 1170.0 InChI Key: HHBPTDLSSJJCKV-UHFFFAOYSA-N. SMILES: CC(C)C(C=O)NC(=O)C(C)NC(=O)C(CCCCNC(=O)C1=CC=C(C=C1)C(=O)O)NS(=O)(=O)C23CC4CC(C2)CC(C4)C3.

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