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

Systemtic Name: (2S,4R)-2-azanyl-4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enyl]pentanedioic acid Openeye Name: (2S,4R)-2-amino-4-[(E)-3-(4-methylsulfanylphenyl)allyl]pentanedioic acid CAS Name: (2S,4R)-2-amino-4-[(E)-3-[4-(methylthio)phenyl]prop-2-enyl]pentanedioic acid IUPAC Name: (2S,4R)-2-amino-4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enyl]pentanedioic acid Traditional Name: (2S,4R)-2-amino-4-[(E)-3-[4-(methylthio)phenyl]allyl]glutaric acid Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CCC(CC(C(=O)O)N)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C[C@H](C[C@@H](C(=O)O)N)C(=O)O

InChI

InChI=1S/C15H19NO4S/c1-21-12-7-5-10(6-8-12)3-2-4-11(14(17)18)9-13(16)15(19)20/h2-3,5-8,11,13H,4,9,16H2,1H3,(H,17,18)(H,19,20)/b3-2+/t11-,13+/m1/s1