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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S)-2-[(4-ethanoylphenyl)sulfonylamino]propanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-acetylphenyl)sulfonylamino]propionic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C18H26N2O6S MolecularWeight: 398.47384

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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(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O6S/c1-5-15(6-2)19-17(22)11-26-18(23)12(3)20-27(24,25)16-9-7-14(8-10-16)13(4)21/h7-10,12,15,20H,5-6,11H2,1-4H3,(H,19,22)/t12-/m0/s1