(6S)-7-[2-[4-[aminomethyl(carboxy)amino]phenyl]ethanoylamino]-8-oxidanylidene-3-[[5-(sulfomethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6S)-7-[2-[4-[aminomethyl(carboxy)amino]phenyl]ethanoylamino]-8-oxidanylidene-3-[[5-(sulfomethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6S)-7-[[2-[4-[aminomethyl(carboxy)amino]phenyl]acetyl]amino]-8-oxo-3-[[5-(sulfomethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6S)-7-[[2-[4-[aminomethyl(carboxy)amino]phenyl]-1-oxoethyl]amino]-8-oxo-3-[[[5-(sulfomethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6S)-7-[[2-[4-[aminomethyl(carboxy)amino]phenyl]acetyl]amino]-8-oxo-3-[[5-(sulfomethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6S)-7-[[2-[4-[aminomethyl(carboxy)amino]phenyl]acetyl]amino]-8-keto-3-[[[5-(sulfomethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H22N6O10S3 MolecularWeight: 614.62858

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=C(C=C3)N(CN)C(=O)O)C(=O)O)CSC4=NN=C(O4)CS(=O)(=O)O

Isomeric SMILES

C1C(=C(N2[C@@H](S1)C(C2=O)NC(=O)CC3=CC=C(C=C3)N(CN)C(=O)O)C(=O)O)CSC4=NN=C(O4)CS(=O)(=O)O

InChI

InChI=1S/C21H22N6O10S3/c22-9-26(21(32)33)12-3-1-10(2-4-12)5-13(28)23-15-17(29)27-16(19(30)31)11(6-38-18(15)27)7-39-20-25-24-14(37-20)8-40(34,35)36/h1-4,15,18H,5-9,22H2,(H,23,28)(H,30,31)(H,32,33)(H,34,35,36)/t15?,18-/m0/s1