2-[[[(2S)-2-[(4-fluorophenyl)carbonylamino]-3-methyl-butanoyl]amino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[(2S)-2-[(4-fluorophenyl)carbonylamino]-3-methyl-butanoyl]amino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methyl-butanoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(2S)-2-[[(4-fluorophenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methyl-butanoyl]amino]methyl]-4-nitro-phenolate Formula: C19H19FN3O5- MolecularWeight: 388.369663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])[O-])NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])[O-])NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C19H20FN3O5/c1-11(2)17(22-18(25)12-3-5-14(20)6-4-12)19(26)21-10-13-9-15(23(27)28)7-8-16(13)24/h3-9,11,17,24H,10H2,1-2H3,(H,21,26)(H,22,25)/p-1/t17-/m0/s1