2-(1-phenylbutan-2-ylamino)propanedioic acid

Systemtic Name: 2-(1-phenylbutan-2-ylamino)propanedioic acid Openeye Name: 2-(1-benzylpropylamino)propanedioic acid CAS Name: 2-(1-phenylbutan-2-ylamino)propanedioic acid IUPAC Name: 2-(1-phenylbutan-2-ylamino)propanedioic acid Traditional Name: 2-(1-benzylpropylamino)malonic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)NC(C(=O)O)C(=O)O

Isomeric SMILES

CCC(CC1=CC=CC=C1)NC(C(=O)O)C(=O)O

InChI

InChI=1S/C13H17NO4/c1-2-10(8-9-6-4-3-5-7-9)14-11(12(15)16)13(17)18/h3-7,10-11,14H,2,8H2,1H3,(H,15,16)(H,17,18)