(phenylmethyl) (2S)-1-[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[(2S)-2,4-diamino-4-oxo-butanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-2,4-diamino-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[(2S)-2,4-diamino-4-oxobutanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-2,4-diamino-4-keto-butanoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC(=O)N)N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CC(=O)N)N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H21N3O4/c17-12(9-14(18)20)15(21)19-8-4-7-13(19)16(22)23-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10,17H2,(H2,18,20)/t12-,13-/m0/s1