2-methyl-3-[[(E)-3-phenyl-2-(sulfanylmethyl)prop-2-enoyl]amino]propanoic acid

Systemtic Name: 2-methyl-3-[[(E)-3-phenyl-2-(sulfanylmethyl)prop-2-enoyl]amino]propanoic acid Openeye Name: 2-methyl-3-[[(E)-3-phenyl-2-(sulfanylmethyl)prop-2-enoyl]amino]propanoic acid CAS Name: 3-[[(E)-2-(mercaptomethyl)-1-oxo-3-phenylprop-2-enyl]amino]-2-methylpropanoic acid IUPAC Name: 2-methyl-3-[[(E)-3-phenyl-2-(sulfanylmethyl)prop-2-enoyl]amino]propanoic acid Traditional Name: 3-[[(E)-2-(mercaptomethyl)-3-phenyl-acryloyl]amino]-2-methyl-propionic acid Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C(=CC1=CC=CC=C1)CS)C(=O)O

Isomeric SMILES

CC(CNC(=O)/C(=C\C1=CC=CC=C1)/CS)C(=O)O

InChI

InChI=1S/C14H17NO3S/c1-10(14(17)18)8-15-13(16)12(9-19)7-11-5-3-2-4-6-11/h2-7,10,19H,8-9H2,1H3,(H,15,16)(H,17,18)/b12-7-