(2S)-4-azanyl-2-(3H-benzimidazol-5-ylcarbonylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-azanyl-2-(3H-benzimidazol-5-ylcarbonylamino)-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-amino-2-(3H-benzimidazole-5-carbonylamino)-4-oxo-butanoic acid CAS Name: (2S)-4-amino-2-[[3H-benzimidazol-5-yl(oxo)methyl]amino]-4-oxobutanoic acid IUPAC Name: (2S)-4-amino-2-(3H-benzimidazole-5-carbonylamino)-4-oxobutanoic acid Traditional Name: (2S)-4-amino-2-(3H-benzimidazole-5-carbonylamino)-4-keto-butyric acid Formula: C12H12N4O4 MolecularWeight: 276.24808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NC(CC(=O)N)C(=O)O)NC=N2

Isomeric SMILES

C1=CC2=C(C=C1C(=O)N[C@@H](CC(=O)N)C(=O)O)NC=N2

InChI

InChI=1S/C12H12N4O4/c13-10(17)4-9(12(19)20)16-11(18)6-1-2-7-8(3-6)15-5-14-7/h1-3,5,9H,4H2,(H2,13,17)(H,14,15)(H,16,18)(H,19,20)/t9-/m0/s1