3-[[4-[(2-methylsulfanylbenzimidazol-1-yl)methyl]phenyl]carbonylamino]-4-(oxidanylcarbamoyl)pyrrolidine-1-carboxylic acid

Systemtic Name: 3-[[4-[(2-methylsulfanylbenzimidazol-1-yl)methyl]phenyl]carbonylamino]-4-(oxidanylcarbamoyl)pyrrolidine-1-carboxylic acid Openeye Name: 3-(hydroxycarbamoyl)-4-[[4-[(2-methylsulfanylbenzimidazol-1-yl)methyl]benzoyl]amino]pyrrolidine-1-carboxylic acid CAS Name: 3-[(hydroxyamino)-oxomethyl]-4-[[[4-[[2-(methylthio)-1-benzimidazolyl]methyl]phenyl]-oxomethyl]amino]-1-pyrrolidinecarboxylic acid IUPAC Name: 3-(hydroxycarbamoyl)-4-[[4-[(2-methylsulfanylbenzimidazol-1-yl)methyl]benzoyl]amino]pyrrolidine-1-carboxylic acid Traditional Name: 3-(hydroxycarbamoyl)-4-[[4-[[2-(methylthio)benzimidazol-1-yl]methyl]benzoyl]amino]pyrrolidine-1-carboxylic acid Formula: C22H23N5O5S MolecularWeight: 469.51352

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)C(=O)NC4CN(CC4C(=O)NO)C(=O)O

Isomeric SMILES

CSC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)C(=O)NC4CN(CC4C(=O)NO)C(=O)O

InChI

InChI=1S/C22H23N5O5S/c1-33-21-24-16-4-2-3-5-18(16)27(21)10-13-6-8-14(9-7-13)19(28)23-17-12-26(22(30)31)11-15(17)20(29)25-32/h2-9,15,17,32H,10-12H2,1H3,(H,23,28)(H,25,29)(H,30,31)