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

Systemtic Name: 2-[methyl-(2-methyl-3-sulfanyl-propanoyl)amino]-3-phenyl-propanoic acid Openeye Name: 2-[methyl-(2-methyl-3-sulfanyl-propanoyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[(3-mercapto-2-methyl-1-oxopropyl)-methylamino]-3-phenylpropanoic acid IUPAC Name: 2-[methyl-(2-methyl-3-sulfanylpropanoyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(3-mercapto-2-methyl-propanoyl)-methyl-amino]-3-phenyl-propionic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-10(9-19)13(16)15(2)12(14(17)18)8-11-6-4-3-5-7-11/h3-7,10,12,19H,8-9H2,1-2H3,(H,17,18)