(4-methylsulfanylphenyl)methyl (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (4-methylsulfanylphenyl)methyl (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-(m-toluoylamino)butyric acid [4-(methylthio)benzyl] ester Formula: C21H25NO3S2 MolecularWeight: 403.5581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OCC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@H](CCSC)C(=O)OCC2=CC=C(C=C2)SC

InChI

InChI=1S/C21H25NO3S2/c1-15-5-4-6-17(13-15)20(23)22-19(11-12-26-2)21(24)25-14-16-7-9-18(27-3)10-8-16/h4-10,13,19H,11-12,14H2,1-3H3,(H,22,23)/t19-/m1/s1