(phenylmethyl) 1-[2-(2-azanylpropanoylamino)propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) 1-[2-(2-azanylpropanoylamino)propanoyl]pyrrolidine-2-carboxylate Openeye Name: benzyl 1-[2-(2-aminopropanoylamino)propanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[2-(2-aminopropanoylamino)propanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-(alanylamino)propanoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)C(=O)N1CCCC1C(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CC(C(=O)NC(C)C(=O)N1CCCC1C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C18H25N3O4/c1-12(19)16(22)20-13(2)17(23)21-10-6-9-15(21)18(24)25-11-14-7-4-3-5-8-14/h3-5,7-8,12-13,15H,6,9-11,19H2,1-2H3,(H,20,22)