1-[6-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-5-oxidanylidene-3-phenyl-1,4-thiazepan-4-yl]cyclopropane-1-carboxylic acid

Systemtic Name: 1-[6-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-5-oxidanylidene-3-phenyl-1,4-thiazepan-4-yl]cyclopropane-1-carboxylic acid Openeye Name: 1-[6-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]cyclopropanecarboxylic acid CAS Name: 1-[6-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[6-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]cyclopropane-1-carboxylic acid Traditional Name: 1-[6-[(1-carbethoxy-3-phenyl-propyl)amino]-5-keto-3-phenyl-1,4-thiazepan-4-yl]cyclopropanecarboxylic acid Formula: C27H32N2O5S MolecularWeight: 496.61838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSCC(N(C2=O)C3(CC3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSCC(N(C2=O)C3(CC3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C27H32N2O5S/c1-2-34-25(31)21(14-13-19-9-5-3-6-10-19)28-22-17-35-18-23(20-11-7-4-8-12-20)29(24(22)30)27(15-16-27)26(32)33/h3-12,21-23,28H,2,13-18H2,1H3,(H,32,33)