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

Systemtic Name: 2-[3-cyclohexyl-6-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[3-cyclohexyl-6-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-5-oxo-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[3-cyclohexyl-6-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[3-cyclohexyl-6-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-[(1-carbethoxy-3-phenyl-propyl)amino]-3-cyclohexyl-5-keto-1,4-thiazepan-4-yl]acetic acid Formula: C25H36N2O5S MolecularWeight: 476.62874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSCC(N(C2=O)CC(=O)O)C3CCCCC3

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSCC(N(C2=O)CC(=O)O)C3CCCCC3

InChI

InChI=1S/C25H36N2O5S/c1-2-32-25(31)20(14-13-18-9-5-3-6-10-18)26-21-16-33-17-22(19-11-7-4-8-12-19)27(24(21)30)15-23(28)29/h3,5-6,9-10,19-22,26H,2,4,7-8,11-17H2,1H3,(H,28,29)