2-(2-acetamidoethanoylamino)-4-oxidanylidene-4-[(phenylmethyl)amino]butanoic acid

Systemtic Name: 2-(2-acetamidoethanoylamino)-4-oxidanylidene-4-[(phenylmethyl)amino]butanoic acid Openeye Name: 2-[(2-acetamidoacetyl)amino]-4-(benzylamino)-4-oxo-butanoic acid CAS Name: 2-[(2-acetamido-1-oxoethyl)amino]-4-oxo-4-[(phenylmethyl)amino]butanoic acid IUPAC Name: 2-[(2-acetamidoacetyl)amino]-4-(benzylamino)-4-oxobutanoic acid Traditional Name: 2-[(2-acetamidoacetyl)amino]-4-(benzylamino)-4-keto-butyric acid Formula: C15H19N3O5 MolecularWeight: 321.32846

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(=O)NC(CC(=O)NCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(=O)NCC(=O)NC(CC(=O)NCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C15H19N3O5/c1-10(19)16-9-14(21)18-12(15(22)23)7-13(20)17-8-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,16,19)(H,17,20)(H,18,21)(H,22,23)