(phenylmethyl) (2S)-2-azanyl-3-(1H-benzimidazol-2-yl)propanoate

Systemtic Name: (phenylmethyl) (2S)-2-azanyl-3-(1H-benzimidazol-2-yl)propanoate Openeye Name: benzyl (2S)-2-amino-3-(1H-benzimidazol-2-yl)propanoate CAS Name: (2S)-2-amino-3-(1H-benzimidazol-2-yl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-amino-3-(1H-benzimidazol-2-yl)propanoate Traditional Name: (2S)-2-amino-3-(1H-benzimidazol-2-yl)propionic acid benzyl ester Formula: C17H17N3O2 MolecularWeight: 295.33578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC2=NC3=CC=CC=C3N2)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CC2=NC3=CC=CC=C3N2)N

InChI

InChI=1S/C17H17N3O2/c18-13(17(21)22-11-12-6-2-1-3-7-12)10-16-19-14-8-4-5-9-15(14)20-16/h1-9,13H,10-11,18H2,(H,19,20)/t13-/m0/s1