(2S)-2-[3-(4-aminophenyl)propanoylamino]pentanedioic acid

Systemtic Name: (2S)-2-[3-(4-aminophenyl)propanoylamino]pentanedioic acid Openeye Name: (2S)-2-[3-(4-aminophenyl)propanoylamino]pentanedioic acid CAS Name: (2S)-2-[[3-(4-aminophenyl)-1-oxopropyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[3-(4-aminophenyl)propanoylamino]pentanedioic acid Traditional Name: (2S)-2-[3-(4-aminophenyl)propanoylamino]glutaric acid Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)NC(CCC(=O)O)C(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)N

InChI

InChI=1S/C14H18N2O5/c15-10-4-1-9(2-5-10)3-7-12(17)16-11(14(20)21)6-8-13(18)19/h1-2,4-5,11H,3,6-8,15H2,(H,16,17)(H,18,19)(H,20,21)/t11-/m0/s1