7-[[2-[4-(carboxymethyloxy)phenyl]-2-[(6,7-diacetyloxy-1-ethyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]ethanoyl]amino]-7-methoxy-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[2-[4-(carboxymethyloxy)phenyl]-2-[(6,7-diacetyloxy-1-ethyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]ethanoyl]amino]-7-methoxy-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-[4-(carboxymethyloxy)phenyl]-2-[(6,7-diacetoxy-1-ethyl-4-oxo-quinoline-3-carbonyl)amino]acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-[4-(carboxymethyloxy)phenyl]-2-[[(6,7-diacetyloxy-1-ethyl-4-oxo-3-quinolinyl)-oxomethyl]amino]-1-oxoethyl]amino]-7-methoxy-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-[4-(carboxymethyloxy)phenyl]-2-[(6,7-diacetyloxy-1-ethyl-4-oxoquinoline-3-carbonyl)amino]acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-[4-(carboxymethyloxy)phenyl]-2-[(6,7-diacetoxy-1-ethyl-4-keto-quinoline-3-carbonyl)amino]acetyl]amino]-8-keto-7-methoxy-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C37H36N8O14S2 MolecularWeight: 880.85694

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)OC(=O)C)OC(=O)C)C(=O)NC(C3=CC=C(C=C3)OCC(=O)O)C(=O)NC4(C5N(C4=O)C(=C(CS5)CSC6=NN=NN6C)C(=O)O)OC

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)OC(=O)C)OC(=O)C)C(=O)NC(C3=CC=C(C=C3)OCC(=O)O)C(=O)NC4(C5N(C4=O)C(=C(CS5)CSC6=NN=NN6C)C(=O)O)OC

InChI

InChI=1S/C37H36N8O14S2/c1-6-44-13-23(30(50)22-11-25(58-17(2)46)26(12-24(22)44)59-18(3)47)31(51)38-28(19-7-9-21(10-8-19)57-14-27(48)49)32(52)39-37(56-5)34(55)45-29(33(53)54)20(15-60-35(37)45)16-61-36-40-41-42-43(36)4/h7-13,28,35H,6,14-16H2,1-5H3,(H,38,51)(H,39,52)(H,48,49)(H,53,54)