2-acetamido-3-[(phenylmethyl)amino]butanoic acid

Systemtic Name: 2-acetamido-3-[(phenylmethyl)amino]butanoic acid Openeye Name: 2-acetamido-3-(benzylamino)butanoic acid CAS Name: 2-acetamido-3-[(phenylmethyl)amino]butanoic acid IUPAC Name: 2-acetamido-3-(benzylamino)butanoic acid Traditional Name: 2-acetamido-3-(benzylamino)butyric acid Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3/c1-9(12(13(17)18)15-10(2)16)14-8-11-6-4-3-5-7-11/h3-7,9,12,14H,8H2,1-2H3,(H,15,16)(H,17,18)