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

Systemtic Name: 2-[6-[[1-(1-ethoxycarbonyloxyethoxy)-1-oxidanylidene-4-phenyl-butan-2-yl]amino]-5-oxidanylidene-2-thiophen-3-yl-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-[[1-(1-ethoxycarbonyloxyethoxycarbonyl)-3-phenyl-propyl]amino]-5-oxo-2-(3-thienyl)-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[6-[[1-(1-ethoxycarbonyloxyethoxy)-1-oxo-4-phenylbutan-2-yl]amino]-5-oxo-2-(3-thiophenyl)-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[6-[[1-(1-ethoxycarbonyloxyethoxy)-1-oxo-4-phenylbutan-2-yl]amino]-5-oxo-2-thiophen-3-yl-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-[[1-(1-carbethoxyoxyethoxycarbonyl)-3-phenyl-propyl]amino]-5-keto-2-(3-thienyl)-1,4-thiazepan-4-yl]acetic acid Formula: C26H32N2O8S2 MolecularWeight: 564.67088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC(C)OC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)CC(=O)O)C3=CSC=C3

Isomeric SMILES

CCOC(=O)OC(C)OC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)CC(=O)O)C3=CSC=C3

InChI

InChI=1S/C26H32N2O8S2/c1-3-34-26(33)36-17(2)35-25(32)20(10-9-18-7-5-4-6-8-18)27-21-16-38-22(19-11-12-37-15-19)13-28(24(21)31)14-23(29)30/h4-8,11-12,15,17,20-22,27H,3,9-10,13-14,16H2,1-2H3,(H,29,30)