3-[[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-[[2-[[1,5-bis(oxidanyl)-1,3,5-triazine-1,5-diium-2-yl]carbonylamino]-2-(4-hydroxyphenyl)ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-[[2-[[1,5-bis(oxidanyl)-1,3,5-triazine-1,5-diium-2-yl]carbonylamino]-2-(4-hydroxyphenyl)ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-[[2-[(1,5-dihydroxy-1,3,5-triazine-1,5-diium-2-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-(aminomethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-7-[[2-[[(1,5-dihydroxy-1,3,5-triazine-1,5-diium-2-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-(aminomethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-[[2-[(1,5-dihydroxy-1,3,5-triazine-1,5-diium-2-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-(aminomethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-7-[[2-[(1,5-dihydroxy-s-triazine-1,5-diium-2-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H24N10O8S2+2 MolecularWeight: 632.62886

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)NC(=O)C4=[N+](C=[N+](C=N4)O)O)C(=O)O)CSC5=NNC(=N5)CN

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)NC(=O)C4=[N+](C=[N+](C=N4)O)O)C(=O)O)CSC5=NNC(=N5)CN

InChI

InChI=1S/C23H22N10O8S2/c24-5-13-26-23(30-29-13)43-7-11-6-42-21-15(20(37)33(21)16(11)22(38)39)28-18(35)14(10-1-3-12(34)4-2-10)27-19(36)17-25-8-31(40)9-32(17)41/h1-4,8-9,14-15,21H,5-7,24H2,(H5-2,26,27,28,29,30,34,35,36,38,39,40,41)/p+2