4-methyl-2-[[2-[(6-methylpyridin-3-yl)carbonylamino]-3-(4-phosphonooxyphenyl)propanoyl]amino]pentanoic acid

Systemtic Name: 4-methyl-2-[[2-[(6-methylpyridin-3-yl)carbonylamino]-3-(4-phosphonooxyphenyl)propanoyl]amino]pentanoic acid Openeye Name: 4-methyl-2-[[2-[(6-methylpyridine-3-carbonyl)amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[2-[[(6-methyl-3-pyridinyl)-oxomethyl]amino]-1-oxo-3-(4-phosphonooxyphenyl)propyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[2-[(6-methylpyridine-3-carbonyl)amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]pentanoic acid Traditional Name: 4-methyl-2-[[2-[(6-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=NC=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)OP(=O)(O)O)C(=O)NC(CC(C)C)C(=O)O

Isomeric SMILES

CC1=NC=C(C=C1)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)10-19(22(28)29)25-21(27)18(24-20(26)16-7-4-14(3)23-12-16)11-15-5-8-17(9-6-15)33-34(30,31)32/h4-9,12-13,18-19H,10-11H2,1-3H3,(H,24,26)(H,25,27)(H,28,29)(H2,30,31,32)