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

Systemtic Name: (phenylmethyl) 1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-2-(dimethylcarbamoyl)pyrrolidine-2-carboxylate Openeye Name: benzyl 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-2-(dimethylcarbamoyl)pyrrolidine-2-carboxylate CAS Name: 1-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-[dimethylamino(oxo)methyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-2-(dimethylcarbamoyl)pyrrolidine-2-carboxylate Traditional Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-2-(dimethylcarbamoyl)pyrrolidine-2-carboxylic acid benzyl ester Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1(CCCN1C(=O)C(CC2=CN=CN2)N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)C1(CCCN1C(=O)C(CC2=CN=CN2)N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H27N5O4/c1-25(2)19(28)21(20(29)30-13-15-7-4-3-5-8-15)9-6-10-26(21)18(27)17(22)11-16-12-23-14-24-16/h3-5,7-8,12,14,17H,6,9-11,13,22H2,1-2H3,(H,23,24)