methyl (2S)-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[2-(4-isobutylphenyl)propanoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[2-(4-isobutylphenyl)propanoylamino]-4-(methylthio)butyric acid methyl ester Formula: C19H29NO3S MolecularWeight: 351.50346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO3S/c1-13(2)12-15-6-8-16(9-7-15)14(3)18(21)20-17(10-11-24-5)19(22)23-4/h6-9,13-14,17H,10-12H2,1-5H3,(H,20,21)/t14?,17-/m0/s1