3-[[1-(2-azanyl-2-oxidanylidene-ethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-[2-[2-[[methyl(2-methylpropanoyl)carbamoyl]amino]phenyl]ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[[1-(2-azanyl-2-oxidanylidene-ethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-[2-[2-[[methyl(2-methylpropanoyl)carbamoyl]amino]phenyl]ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[[1-(2-amino-2-oxo-ethyl)tetrazol-5-yl]sulfanylmethyl]-7-[[2-[2-[[methyl(2-methylpropanoyl)carbamoyl]amino]phenyl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[[1-(2-amino-2-oxoethyl)-5-tetrazolyl]thio]methyl]-7-[[2-[2-[[[methyl-(2-methyl-1-oxopropyl)amino]-oxomethyl]amino]phenyl]-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[[1-(2-amino-2-oxoethyl)tetrazol-5-yl]sulfanylmethyl]-7-[[2-[2-[[methyl(2-methylpropanoyl)carbamoyl]amino]phenyl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[[1-(2-amino-2-keto-ethyl)tetrazol-5-yl]thio]methyl]-7-[[2-[2-[[isobutyryl(methyl)carbamoyl]amino]phenyl]acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C25H29N9O7S2 MolecularWeight: 631.68386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(C)C(=O)NC1=CC=CC=C1CC(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4CC(=O)N)C(=O)O

Isomeric SMILES

CC(C)C(=O)N(C)C(=O)NC1=CC=CC=C1CC(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4CC(=O)N)C(=O)O

InChI

InChI=1S/C25H29N9O7S2/c1-12(2)20(37)32(3)24(41)27-15-7-5-4-6-13(15)8-17(36)28-18-21(38)34-19(23(39)40)14(10-42-22(18)34)11-43-25-29-30-31-33(25)9-16(26)35/h4-7,12,18,22H,8-11H2,1-3H3,(H2,26,35)(H,27,41)(H,28,36)(H,39,40)