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

Systemtic Name: 3-[[2-[(2-methylphenyl)methyl]-3-sulfanyl-propanoyl]amino]-2-oxidanyl-propanoic acid Openeye Name: 2-hydroxy-3-[[2-(o-tolylmethyl)-3-sulfanyl-propanoyl]amino]propanoic acid CAS Name: 2-hydroxy-3-[[2-(mercaptomethyl)-3-(2-methylphenyl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-hydroxy-3-[[2-[(2-methylphenyl)methyl]-3-sulfanylpropanoyl]amino]propanoic acid Traditional Name: 2-hydroxy-3-[[2-(mercaptomethyl)-3-(o-tolyl)propanoyl]amino]propionic acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(CS)C(=O)NCC(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1CC(CS)C(=O)NCC(C(=O)O)O

InChI

InChI=1S/C14H19NO4S/c1-9-4-2-3-5-10(9)6-11(8-20)13(17)15-7-12(16)14(18)19/h2-5,11-12,16,20H,6-8H2,1H3,(H,15,17)(H,18,19)