[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-4-methyl-2-(p-tolylsulfonylamino)pentanoate CAS Name: (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: (2S)-4-methyl-2-(tosylamino)valeric 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(CC(C)C)NS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O6S/c1-5-10-20-19(25)21-17(23)12-28-18(24)16(11-13(2)3)22-29(26,27)15-8-6-14(4)7-9-15/h6-9,13,16,22H,5,10-12H2,1-4H3,(H2,20,21,23,25)/t16-/m0/s1