2-[6-[(1-butoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-2-(2-methylpropyl)-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoic acid

Systemtic Name: 2-[6-[(1-butoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-2-(2-methylpropyl)-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-[(1-butoxycarbonyl-3-phenyl-propyl)amino]-2-isobutyl-5-oxo-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[6-[(1-butoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-(2-methylpropyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[6-[(1-butoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-(2-methylpropyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-[(1-butoxycarbonyl-3-phenyl-propyl)amino]-2-isobutyl-5-keto-1,4-thiazepan-4-yl]acetic acid Formula: C25H38N2O5S MolecularWeight: 478.64462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)CC(=O)O)CC(C)C

Isomeric SMILES

CCCCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)CC(=O)O)CC(C)C

InChI

InChI=1S/C25H38N2O5S/c1-4-5-13-32-25(31)21(12-11-19-9-7-6-8-10-19)26-22-17-33-20(14-18(2)3)15-27(24(22)30)16-23(28)29/h6-10,18,20-22,26H,4-5,11-17H2,1-3H3,(H,28,29)