2-[6-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-2-naphthalen-1-yl-5-oxidanylidene-1,4-thiazepan-4-yl]propanoic acid

Systemtic Name: 2-[6-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-2-naphthalen-1-yl-5-oxidanylidene-1,4-thiazepan-4-yl]propanoic acid Openeye Name: 2-[6-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-2-(1-naphthyl)-5-oxo-1,4-thiazepan-4-yl]propanoic acid CAS Name: 2-[6-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-(1-naphthalenyl)-5-oxo-1,4-thiazepan-4-yl]propanoic acid IUPAC Name: 2-[6-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-naphthalen-1-yl-5-oxo-1,4-thiazepan-4-yl]propanoic acid Traditional Name: 2-[6-[(1-carbethoxy-3-phenyl-propyl)amino]-5-keto-2-(1-naphthyl)-1,4-thiazepan-4-yl]propionic acid Formula: C30H34N2O5S MolecularWeight: 534.66636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)C(C)C(=O)O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)C(C)C(=O)O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C30H34N2O5S/c1-3-37-30(36)25(17-16-21-10-5-4-6-11-21)31-26-19-38-27(18-32(28(26)33)20(2)29(34)35)24-15-9-13-22-12-7-8-14-23(22)24/h4-15,20,25-27,31H,3,16-19H2,1-2H3,(H,34,35)