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

Systemtic Name: 2-[6-[[1-(2-methylpropoxy)-1-oxidanylidene-4-phenyl-butan-2-yl]amino]-5-oxidanylidene-2-thiophen-2-yl-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-[(1-isobutoxycarbonyl-3-phenyl-propyl)amino]-5-oxo-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[6-[[1-(2-methylpropoxy)-1-oxo-4-phenylbutan-2-yl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[6-[[1-(2-methylpropoxy)-1-oxo-4-phenylbutan-2-yl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-[(1-isobutoxycarbonyl-3-phenyl-propyl)amino]-5-keto-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid Formula: C25H32N2O5S2 MolecularWeight: 504.66198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O5S2/c1-17(2)15-32-25(31)19(11-10-18-7-4-3-5-8-18)26-20-16-34-22(21-9-6-12-33-21)13-27(24(20)30)14-23(28)29/h3-9,12,17,19-20,22,26H,10-11,13-16H2,1-2H3,(H,28,29)