(5R)-5-azaniumyl-5-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)pentanoate

Systemtic Name: (5R)-5-azaniumyl-5-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)pentanoate Openeye Name: (5R)-5-azaniumyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoate CAS Name: (5R)-5-ammonio-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoate IUPAC Name: (5R)-5-azaniumyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoate Traditional Name: (5R)-5-ammonio-5-(2-keto-1,3-dihydrobenzimidazol-5-yl)valerate Formula: C12H15N3O3 MolecularWeight: 249.2658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(CCCC(=O)[O-])[NH3+])NC(=O)N2

Isomeric SMILES

C1=CC2=C(C=C1[C@@H](CCCC(=O)[O-])[NH3+])NC(=O)N2

InChI

InChI=1S/C12H15N3O3/c13-8(2-1-3-11(16)17)7-4-5-9-10(6-7)15-12(18)14-9/h4-6,8H,1-3,13H2,(H,16,17)(H2,14,15,18)/t8-/m1/s1