(2S,3S)-2-(3H-benzimidazol-5-ylcarbonylamino)-3-oxidanyl-butanoic acid

Systemtic Name: (2S,3S)-2-(3H-benzimidazol-5-ylcarbonylamino)-3-oxidanyl-butanoic acid Openeye Name: (2S,3S)-2-(3H-benzimidazole-5-carbonylamino)-3-hydroxy-butanoic acid CAS Name: (2S,3S)-2-[[3H-benzimidazol-5-yl(oxo)methyl]amino]-3-hydroxybutanoic acid IUPAC Name: (2S,3S)-2-(3H-benzimidazole-5-carbonylamino)-3-hydroxybutanoic acid Traditional Name: (2S,3S)-2-(3H-benzimidazole-5-carbonylamino)-3-hydroxy-butyric acid Formula: C12H13N3O4 MolecularWeight: 263.24932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)C1=CC2=C(C=C1)N=CN2)O

Isomeric SMILES

C[C@@H]([C@@H](C(=O)O)NC(=O)C1=CC2=C(C=C1)N=CN2)O

InChI

InChI=1S/C12H13N3O4/c1-6(16)10(12(18)19)15-11(17)7-2-3-8-9(4-7)14-5-13-8/h2-6,10,16H,1H3,(H,13,14)(H,15,17)(H,18,19)/t6-,10-/m0/s1