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

Systemtic Name: (phenylmethyl) 1-[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylate hydrochloride Openeye Name: benzyl 1-(2,4-diamino-4-oxo-butanoyl)pyrrolidine-2-carboxylate hydrochloride CAS Name: 1-(2,4-diamino-1,4-dioxobutyl)-2-pyrrolidinecarboxylic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl 1-(2,4-diamino-4-oxobutanoyl)pyrrolidine-2-carboxylate hydrochloride Traditional Name: 1-(2,4-diamino-4-keto-butanoyl)pyrrolidine-2-carboxylic acid benzyl ester hydrochloride Formula: C16H22ClN3O4 MolecularWeight: 355.81658

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4.ClH/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);1H