3-[[5-(carboxymethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-[[2-(4-hydroxyphenyl)-2-[[2-(4-methanoylpiperazin-1-yl)-5-oxidanylidene-8H-pyrido[2,3-d]pyrimidin-6-yl]carbonylamino]ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[[5-(carboxymethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-[[2-(4-hydroxyphenyl)-2-[[2-(4-methanoylpiperazin-1-yl)-5-oxidanylidene-8H-pyrido[2,3-d]pyrimidin-6-yl]carbonylamino]ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[[5-(carboxymethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-[[2-[[2-(4-formylpiperazin-1-yl)-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[[5-(carboxymethyl)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-[[2-[[[2-(4-formyl-1-piperazinyl)-5-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]-oxomethyl]amino]-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[[5-(carboxymethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-[[2-[[2-(4-formylpiperazin-1-yl)-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[[5-(carboxymethyl)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-[[2-[[2-(4-formylpiperazino)-5-keto-8H-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C33H30N10O10S3 MolecularWeight: 822.8473

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C2=NC=C3C(=O)C(=CNC3=N2)C(=O)NC(C4=CC=C(C=C4)O)C(=O)NC5C6N(C5=O)C(=C(CS6)CSC7=NN=C(S7)CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1C=O)C2=NC=C3C(=O)C(=CNC3=N2)C(=O)NC(C4=CC=C(C=C4)O)C(=O)NC5C6N(C5=O)C(=C(CS6)CSC7=NN=C(S7)CC(=O)O)C(=O)O

InChI

InChI=1S/C33H30N10O10S3/c44-14-41-5-7-42(8-6-41)32-35-10-18-25(48)19(11-34-26(18)38-32)27(49)36-22(15-1-3-17(45)4-2-15)28(50)37-23-29(51)43-24(31(52)53)16(12-54-30(23)43)13-55-33-40-39-20(56-33)9-21(46)47/h1-4,10-11,14,22-23,30,45H,5-9,12-13H2,(H,36,49)(H,37,50)(H,46,47)(H,52,53)(H,34,35,38,48)