(phenylmethyl) (2S)-1-[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CN=CN2)N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H22N4O3/c19-15(9-14-10-20-12-21-14)17(23)22-8-4-7-16(22)18(24)25-11-13-5-2-1-3-6-13/h1-3,5-6,10,12,15-16H,4,7-9,11,19H2,(H,20,21)/t15-,16-/m0/s1