2-[(5-methyl-3-sulfanyl-hexanoyl)amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(5-methyl-3-sulfanyl-hexanoyl)amino]-3-phenyl-propanoic acid Openeye Name: 2-[(5-methyl-3-sulfanyl-hexanoyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[(3-mercapto-5-methyl-1-oxohexyl)amino]-3-phenylpropanoic acid IUPAC Name: 2-[(5-methyl-3-sulfanylhexanoyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(3-mercapto-5-methyl-hexanoyl)amino]-3-phenyl-propionic acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)NC(CC1=CC=CC=C1)C(=O)O)S

Isomeric SMILES

CC(C)CC(CC(=O)NC(CC1=CC=CC=C1)C(=O)O)S

InChI

InChI=1S/C16H23NO3S/c1-11(2)8-13(21)10-15(18)17-14(16(19)20)9-12-6-4-3-5-7-12/h3-7,11,13-14,21H,8-10H2,1-2H3,(H,17,18)(H,19,20)