methyl 4-methyl-2-[(3-phenyl-2-sulfanyl-propanoyl)amino]pentanoate

Systemtic Name: methyl 4-methyl-2-[(3-phenyl-2-sulfanyl-propanoyl)amino]pentanoate Openeye Name: methyl 4-methyl-2-[(3-phenyl-2-sulfanyl-propanoyl)amino]pentanoate CAS Name: 2-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(3-phenyl-2-sulfanylpropanoyl)amino]pentanoate Traditional Name: 2-[(2-mercapto-3-phenyl-propanoyl)amino]-4-methyl-valeric acid methyl ester Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3S/c1-11(2)9-13(16(19)20-3)17-15(18)14(21)10-12-7-5-4-6-8-12/h4-8,11,13-14,21H,9-10H2,1-3H3,(H,17,18)