[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butyric acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C19H29N3O6S MolecularWeight: 427.51506

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C(C(C)C)NS(=O)(=O)C1=CC(=C(C=C1)C)C

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)[C@H](C(C)C)NS(=O)(=O)C1=CC(=C(C=C1)C)C

InChI

InChI=1S/C19H29N3O6S/c1-6-9-20-19(25)21-16(23)11-28-18(24)17(12(2)3)22-29(26,27)15-8-7-13(4)14(5)10-15/h7-8,10,12,17,22H,6,9,11H2,1-5H3,(H2,20,21,23,25)/t17-/m0/s1