2-[[2-[(2-fluoranyl-5-nitro-phenyl)carbonylamino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[(2-fluoranyl-5-nitro-phenyl)carbonylamino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[(2-fluoro-5-nitro-benzoyl)amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[(2-fluoro-5-nitrophenyl)-oxomethyl]amino]-1-oxo-3-(4-phosphonooxyphenyl)propyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[(2-fluoro-5-nitrobenzoyl)amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[(2-fluoro-5-nitro-benzoyl)amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-methyl-valeric acid Formula: C22H25FN3O10P MolecularWeight: 541.420164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)OP(=O)(O)O)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])F

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)OP(=O)(O)O)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])F

InChI

InChI=1S/C22H25FN3O10P/c1-12(2)9-19(22(29)30)25-21(28)18(10-13-3-6-15(7-4-13)36-37(33,34)35)24-20(27)16-11-14(26(31)32)5-8-17(16)23/h3-8,11-12,18-19H,9-10H2,1-2H3,(H,24,27)(H,25,28)(H,29,30)(H2,33,34,35)