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

Systemtic Name: methyl 2-[(2-ethanoylsulfanyl-3-phenyl-propanoyl)amino]-4-methyl-pentanoate Openeye Name: methyl 2-[(2-acetylsulfanyl-3-phenyl-propanoyl)amino]-4-methyl-pentanoate CAS Name: 2-[[2-(acetylthio)-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(2-acetylsulfanyl-3-phenylpropanoyl)amino]-4-methylpentanoate Traditional Name: 2-[[2-(acetylthio)-3-phenyl-propanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO4S/c1-12(2)10-15(18(22)23-4)19-17(21)16(24-13(3)20)11-14-8-6-5-7-9-14/h5-9,12,15-16H,10-11H2,1-4H3,(H,19,21)