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

Systemtic Name: 2-[6-[(1-butoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-5-oxidanylidene-2-propan-2-yl-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-[(1-butoxycarbonyl-3-phenyl-propyl)amino]-2-isopropyl-5-oxo-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[6-[(1-butoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-2-propan-2-yl-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[6-[(1-butoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-2-propan-2-yl-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-[(1-butoxycarbonyl-3-phenyl-propyl)amino]-2-isopropyl-5-keto-1,4-thiazepan-4-yl]acetic acid Formula: C24H36N2O5S MolecularWeight: 464.61804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N2O5S/c1-4-5-13-31-24(30)19(12-11-18-9-7-6-8-10-18)25-20-16-32-21(17(2)3)14-26(23(20)29)15-22(27)28/h6-10,17,19-21,25H,4-5,11-16H2,1-3H3,(H,27,28)