[2-(cyclopropylamino)-2-oxidanylidene-ethyl] (2R)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] (2R)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] (2R)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-(methylthio)butanoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] (2R)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-(methylthio)butyric acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C18H26N2O5S2 MolecularWeight: 414.53944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC(CCSC)C(=O)OCC(=O)NC2CC2

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N[C@H](CCSC)C(=O)OCC(=O)NC2CC2

InChI

InChI=1S/C18H26N2O5S2/c1-12-4-5-13(2)16(10-12)27(23,24)20-15(8-9-26-3)18(22)25-11-17(21)19-14-6-7-14/h4-5,10,14-15,20H,6-9,11H2,1-3H3,(H,19,21)/t15-/m1/s1