[2,3,4,5,6-pentakis(fluoranyl)phenyl] (2S)-4-azanyl-4-oxidanylidene-2-(prop-2-enoxycarbonylamino)butanoate

Systemtic Name: [2,3,4,5,6-pentakis(fluoranyl)phenyl] (2S)-4-azanyl-4-oxidanylidene-2-(prop-2-enoxycarbonylamino)butanoate Openeye Name: (2,3,4,5,6-pentafluorophenyl) (2S)-2-(allyloxycarbonylamino)-4-amino-4-oxo-butanoate CAS Name: (2S)-4-amino-4-oxo-2-[[oxo(prop-2-enoxy)methyl]amino]butanoic acid (2,3,4,5,6-pentafluorophenyl) ester IUPAC Name: (2,3,4,5,6-pentafluorophenyl) (2S)-4-amino-4-oxo-2-(prop-2-enoxycarbonylamino)butanoate Traditional Name: (2S)-2-(allyloxycarbonylamino)-4-amino-4-keto-butyric acid (2,3,4,5,6-pentafluorophenyl) ester Formula: C14H11F5N2O5 MolecularWeight: 382.239556

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)NC(CC(=O)N)C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F

Isomeric SMILES

C=CCOC(=O)N[C@@H](CC(=O)N)C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F

InChI

InChI=1S/C14H11F5N2O5/c1-2-3-25-14(24)21-5(4-6(20)22)13(23)26-12-10(18)8(16)7(15)9(17)11(12)19/h2,5H,1,3-4H2,(H2,20,22)(H,21,24)/t5-/m0/s1