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

Systemtic Name: (2S,4R)-2-azanyl-4-[(E)-3-(4-carboxyphenyl)prop-2-enyl]pentanedioic acid Openeye Name: (2S,4R)-2-amino-4-[(E)-3-(4-carboxyphenyl)allyl]pentanedioic acid CAS Name: (2S,4R)-2-amino-4-[(E)-3-(4-carboxyphenyl)prop-2-enyl]pentanedioic acid IUPAC Name: (2S,4R)-2-amino-4-[(E)-3-(4-carboxyphenyl)prop-2-enyl]pentanedioic acid Traditional Name: (2S,4R)-2-amino-4-[(E)-3-(4-carboxyphenyl)allyl]glutaric acid Formula: C15H17NO6 MolecularWeight: 307.29858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO6/c16-12(15(21)22)8-11(14(19)20)3-1-2-9-4-6-10(7-5-9)13(17)18/h1-2,4-7,11-12H,3,8,16H2,(H,17,18)(H,19,20)(H,21,22)/b2-1+/t11-,12+/m1/s1