(2S)-5-azanyl-2-(3H-benzimidazol-5-ylcarbonylamino)-5-oxidanylidene-pentanoate

Systemtic Name: (2S)-5-azanyl-2-(3H-benzimidazol-5-ylcarbonylamino)-5-oxidanylidene-pentanoate Openeye Name: (2S)-5-amino-2-(3H-benzimidazole-5-carbonylamino)-5-oxo-pentanoate CAS Name: (2S)-5-amino-2-[[3H-benzimidazol-5-yl(oxo)methyl]amino]-5-oxopentanoate IUPAC Name: (2S)-5-amino-2-(3H-benzimidazole-5-carbonylamino)-5-oxopentanoate Traditional Name: (2S)-5-amino-2-(3H-benzimidazole-5-carbonylamino)-5-keto-valerate Formula: C13H13N4O4- MolecularWeight: 289.26672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NC(CCC(=O)N)C(=O)[O-])NC=N2

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O4/c14-11(18)4-3-9(13(20)21)17-12(19)7-1-2-8-10(5-7)16-6-15-8/h1-2,5-6,9H,3-4H2,(H2,14,18)(H,15,16)(H,17,19)(H,20,21)/p-1/t9-/m0/s1