(6R,7R)-7-[[2-(4-hydroxyphenyl)-2-[(5-oxidanylidene-2-piperazin-1-yl-8H-pyrido[2,3-d]pyrimidin-6-yl)carbonylamino]ethanoyl]amino]-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: (6R,7R)-7-[[2-(4-hydroxyphenyl)-2-[(5-oxidanylidene-2-piperazin-1-yl-8H-pyrido[2,3-d]pyrimidin-6-yl)carbonylamino]ethanoyl]amino]-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: (6R,7R)-7-[[2-(4-hydroxyphenyl)-2-[(5-oxo-2-piperazin-1-yl-8H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-[[2-(4-hydroxyphenyl)-1-oxo-2-[[oxo-[5-oxo-2-(1-piperazinyl)-8H-pyrido[2,3-d]pyrimidin-6-yl]methyl]amino]ethyl]amino]-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-[[2-(4-hydroxyphenyl)-2-[(5-oxo-2-piperazin-1-yl-8H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-7-[[2-(4-hydroxyphenyl)-2-[(5-keto-2-piperazino-8H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]acetyl]amino]-8-keto-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C30H30N12O7S2 MolecularWeight: 734.7654

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=C(C=C4)O)NC(=O)C5=CNC6=NC(=NC=C6C5=O)N7CCNCC7)SC2)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)C(C4=CC=C(C=C4)O)NC(=O)C5=CNC6=NC(=NC=C6C5=O)N7CCNCC7)SC2)C(=O)O

InChI

InChI=1S/C30H30N12O7S2/c1-40-30(37-38-39-40)51-13-15-12-50-27-20(26(47)42(27)21(15)28(48)49)35-25(46)19(14-2-4-16(43)5-3-14)34-24(45)18-11-32-23-17(22(18)44)10-33-29(36-23)41-8-6-31-7-9-41/h2-5,10-11,19-20,27,31,43H,6-9,12-13H2,1H3,(H,34,45)(H,35,46)(H,48,49)(H,32,33,36,44)/t19?,20-,27-/m1/s1