4-methyl-2-[[2-[(2-methylpyridin-3-yl)carbonylamino]-3-(4-phosphonooxyphenyl)propanoyl]amino]pentanoic acid

Systemtic Name: 4-methyl-2-[[2-[(2-methylpyridin-3-yl)carbonylamino]-3-(4-phosphonooxyphenyl)propanoyl]amino]pentanoic acid Openeye Name: 4-methyl-2-[[2-[(2-methylpyridine-3-carbonyl)amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[2-[[(2-methyl-3-pyridinyl)-oxomethyl]amino]-1-oxo-3-(4-phosphonooxyphenyl)propyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[2-[(2-methylpyridine-3-carbonyl)amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]pentanoic acid Traditional Name: 4-methyl-2-[[2-[(2-methylnicotinoyl)amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]valeric acid Formula: C22H28N3O8P MolecularWeight: 493.446781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)C(=O)NC(CC2=CC=C(C=C2)OP(=O)(O)O)C(=O)NC(CC(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC=N1)C(=O)NC(CC2=CC=C(C=C2)OP(=O)(O)O)C(=O)NC(CC(C)C)C(=O)O

InChI

InChI=1S/C22H28N3O8P/c1-13(2)11-19(22(28)29)25-21(27)18(24-20(26)17-5-4-10-23-14(17)3)12-15-6-8-16(9-7-15)33-34(30,31)32/h4-10,13,18-19H,11-12H2,1-3H3,(H,24,26)(H,25,27)(H,28,29)(H2,30,31,32)