2-methyl-3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]propanoic acid

Systemtic Name: 2-methyl-3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]propanoic acid Openeye Name: 3-[(2-benzyl-3-sulfanyl-propanoyl)amino]-2-methyl-propanoic acid CAS Name: 3-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-2-methylpropanoic acid IUPAC Name: 3-[(2-benzyl-3-sulfanylpropanoyl)amino]-2-methylpropanoic acid Traditional Name: 3-[(2-benzyl-3-mercapto-propanoyl)amino]-2-methyl-propionic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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

InChI

InChI=1S/C14H19NO3S/c1-10(14(17)18)8-15-13(16)12(9-19)7-11-5-3-2-4-6-11/h2-6,10,12,19H,7-9H2,1H3,(H,15,16)(H,17,18)