[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propionic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C20H32N2O5S MolecularWeight: 412.54348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O5S/c1-7-16(8-2)21-18(23)13-27-19(24)14(3)22-28(25,26)17-11-9-15(10-12-17)20(4,5)6/h9-12,14,16,22H,7-8,13H2,1-6H3,(H,21,23)/t14-/m0/s1