7-[[2-[4-(carboxymethyloxy)phenyl]-2-[[2-methyl-6,7-bis(oxidanyl)-4-oxidanylidene-chromen-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-[[2-methyl-6,7-bis(oxidanyl)-4-oxidanylidene-chromen-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-dihydroxy-2-methyl-4-oxo-chromene-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-dihydroxy-2-methyl-4-oxo-1-benzopyran-3-yl)-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-dihydroxy-2-methyl-4-oxochromene-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-dihydroxy-4-keto-2-methyl-chromene-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: C32H29N7O13S2 MolecularWeight: 783.74176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=CC(=C(C=C2O1)O)O)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

CC1=C(C(=O)C2=CC(=C(C=C2O1)O)O)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/C32H29N7O13S2/c1-13-22(25(44)17-8-18(40)19(41)9-20(17)52-13)26(45)33-23(14-4-6-16(7-5-14)51-10-21(42)43)27(46)34-32(50-3)29(49)39-24(28(47)48)15(11-53-30(32)39)12-54-31-35-36-37-38(31)2/h4-9,23,30,40-41H,10-12H2,1-3H3,(H,33,45)(H,34,46)(H,42,43)(H,47,48)