methyl (2S)-2-[[4-azanyl-2-(3,5-dimethylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[4-azanyl-2-(3,5-dimethylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[4-amino-2-(3,5-dimethylphenyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[4-amino-2-(3,5-dimethylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-amino-2-(3,5-dimethylphenyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-amino-2-(3,5-dimethylphenyl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C=CC(=C2)N)C(=O)NC(CCSC)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-13-9-14(2)11-15(10-13)18-12-16(22)5-6-17(18)20(24)23-19(7-8-27-4)21(25)26-3/h5-6,9-12,19H,7-8,22H2,1-4H3,(H,23,24)/t19-/m0/s1