[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate CAS Name: (2R)-2-[(4-nitrophenyl)thio]propanoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: (2R)-2-[(4-nitrophenyl)thio]propionic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC(=O)NC(C)(C)C)SC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NC(=O)NC(C)(C)C)SC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O6S/c1-10(26-12-7-5-11(6-8-12)19(23)24)14(21)25-9-13(20)17-15(22)18-16(2,3)4/h5-8,10H,9H2,1-4H3,(H2,17,18,20,22)/t10-/m1/s1