(2S,4R)-2-azanyl-4-[(E)-3-(4-cyanophenyl)prop-2-enyl]pentanedioic acid

Systemtic Name: (2S,4R)-2-azanyl-4-[(E)-3-(4-cyanophenyl)prop-2-enyl]pentanedioic acid Openeye Name: (2S,4R)-2-amino-4-[(E)-3-(4-cyanophenyl)allyl]pentanedioic acid CAS Name: (2S,4R)-2-amino-4-[(E)-3-(4-cyanophenyl)prop-2-enyl]pentanedioic acid IUPAC Name: (2S,4R)-2-amino-4-[(E)-3-(4-cyanophenyl)prop-2-enyl]pentanedioic acid Traditional Name: (2S,4R)-2-amino-4-[(E)-3-(4-cyanophenyl)allyl]glutaric acid Formula: C15H16N2O4 MolecularWeight: 288.29854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CCC(CC(C(=O)O)N)C(=O)O)C#N

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O4/c16-9-11-6-4-10(5-7-11)2-1-3-12(14(18)19)8-13(17)15(20)21/h1-2,4-7,12-13H,3,8,17H2,(H,18,19)(H,20,21)/b2-1+/t12-,13+/m1/s1