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

Systemtic Name: 3-[6-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-5-oxidanylidene-2-thiophen-2-yl-1,4-thiazepan-4-yl]propanoic acid Openeye Name: 3-[6-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-5-oxo-2-(2-thienyl)-1,4-thiazepan-4-yl]propanoic acid CAS Name: 3-[6-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]propanoic acid IUPAC Name: 3-[6-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]propanoic acid Traditional Name: 3-[6-[(1-carbethoxy-3-phenyl-propyl)amino]-5-keto-2-(2-thienyl)-1,4-thiazepan-4-yl]propionic acid Formula: C24H30N2O5S2 MolecularWeight: 490.6354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)CCC(=O)O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)CCC(=O)O)C3=CC=CS3

InChI

InChI=1S/C24H30N2O5S2/c1-2-31-24(30)18(11-10-17-7-4-3-5-8-17)25-19-16-33-21(20-9-6-14-32-20)15-26(23(19)29)13-12-22(27)28/h3-9,14,18-19,21,25H,2,10-13,15-16H2,1H3,(H,27,28)