methyl (2R)-2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[3-[(3,4-dimethylphenyl)sulfonylamino]-1-oxopropyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]-4-(methylthio)butyric acid methyl ester Formula: C17H26N2O5S2 MolecularWeight: 402.52874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NC(CCSC)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O5S2/c1-12-5-6-14(11-13(12)2)26(22,23)18-9-7-16(20)19-15(8-10-25-4)17(21)24-3/h5-6,11,15,18H,7-10H2,1-4H3,(H,19,20)/t15-/m1/s1