methyl (2S)-2-[(3-ethanoylsulfanyl-5-methyl-hexanoyl)amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(3-ethanoylsulfanyl-5-methyl-hexanoyl)amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(3-acetylsulfanyl-5-methyl-hexanoyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-(acetylthio)-5-methyl-1-oxohexyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3-acetylsulfanyl-5-methylhexanoyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[3-(acetylthio)-5-methyl-hexanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C19H27NO4S MolecularWeight: 365.48698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CC(CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)SC(=O)C

InChI

InChI=1S/C19H27NO4S/c1-13(2)10-16(25-14(3)21)12-18(22)20-17(19(23)24-4)11-15-8-6-5-7-9-15/h5-9,13,16-17H,10-12H2,1-4H3,(H,20,22)/t16?,17-/m0/s1