[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propionic 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)NS(=O)(=O)C1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O6S/c1-6-11-20-18(25)21-16(23)12-28-17(24)13(2)22-29(26,27)15-9-7-14(8-10-15)19(3,4)5/h7-10,13,22H,6,11-12H2,1-5H3,(H2,20,21,23,25)/t13-/m0/s1