7-[[(2E)-2-(1-azanylbutan-2-yloxyimino)-2-(2-azanyl-1,3-thiazol-4-yl)ethanoyl]amino]-3-[[1-(carboxymethyl)-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-[[(2E)-2-(1-azanylbutan-2-yloxyimino)-2-(2-azanyl-1,3-thiazol-4-yl)ethanoyl]amino]-3-[[1-(carboxymethyl)-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-[[(2E)-2-[1-(aminomethyl)propoxyimino]-2-(2-aminothiazol-4-yl)acetyl]amino]-3-[[1-(carboxymethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(1-aminobutan-2-yloxyimino)-2-(2-amino-4-thiazolyl)-1-oxoethyl]amino]-3-[[[1-(carboxymethyl)-5-tetrazolyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(1-aminobutan-2-yloxyimino)-2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-(carboxymethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-[1-(aminomethyl)propyloximino]-2-(2-aminothiazol-4-yl)acetyl]amino]-3-[[[1-(carboxymethyl)tetrazol-5-yl]thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H24N10O7S3 MolecularWeight: 612.66236

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4CC(=O)O)C(=O)O

Isomeric SMILES

CCC(CN)O/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4CC(=O)O)C(=O)O

InChI

InChI=1S/C20H24N10O7S3/c1-2-9(3-21)37-26-12(10-7-39-19(22)23-10)15(33)24-13-16(34)30-14(18(35)36)8(5-38-17(13)30)6-40-20-25-27-28-29(20)4-11(31)32/h7,9,13,17H,2-6,21H2,1H3,(H2,22,23)(H,24,33)(H,31,32)(H,35,36)/b26-12+