[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] (2S)-2-[[(E)-styryl]sulfonylamino]propanoate CAS Name: (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate Traditional Name: (2S)-2-[[(E)-styryl]sulfonylamino]propionic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H23N3O6S MolecularWeight: 397.44602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)C(C)NS(=O)(=O)C=CC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O6S/c1-12(2)18-17(23)19-15(21)11-26-16(22)13(3)20-27(24,25)10-9-14-7-5-4-6-8-14/h4-10,12-13,20H,11H2,1-3H3,(H2,18,19,21,23)/b10-9+/t13-/m0/s1