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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propionic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C18H28N2O5S MolecularWeight: 384.49032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O5S/c1-12(2)19-16(21)11-25-17(22)13(3)20-26(23,24)15-9-7-14(8-10-15)18(4,5)6/h7-10,12-13,20H,11H2,1-6H3,(H,19,21)/t13-/m0/s1