(2R)-2-(2-benzamidoethanoylamino)butanedioic acid

Systemtic Name: (2R)-2-(2-benzamidoethanoylamino)butanedioic acid Openeye Name: (2R)-2-[(2-benzamidoacetyl)amino]butanedioic acid CAS Name: (2R)-2-[(2-benzamido-1-oxoethyl)amino]butanedioic acid IUPAC Name: (2R)-2-[(2-benzamidoacetyl)amino]butanedioic acid Traditional Name: (2R)-2-(hippuroylamino)succinic acid Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC(=O)N[C@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C13H14N2O6/c16-10(15-9(13(20)21)6-11(17)18)7-14-12(19)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,19)(H,15,16)(H,17,18)(H,20,21)/t9-/m1/s1