2-[6-[[1-(1-ethoxycarbonyloxyethoxy)-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-(1-ethoxycarbonyloxyethoxy)-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-(1-ethoxycarbonyloxyethoxycarbonyl)-3-phenyl-propyl]amino]-5-oxo-2-(2-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-thiophen-2-yl-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-2-yl-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-[[1-(1-carbethoxyoxyethoxycarbonyl)-3-phenyl-propyl]amino]-5-keto-2-(2-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=CC=CS3

Isomeric SMILES

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

InChI

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