4-methyl-2-[[3-(4-phosphonooxyphenyl)-2-(pyridin-3-ylcarbonylamino)propanoyl]amino]pentanoic acid

Systemtic Name: 4-methyl-2-[[3-(4-phosphonooxyphenyl)-2-(pyridin-3-ylcarbonylamino)propanoyl]amino]pentanoic acid Openeye Name: 4-methyl-2-[[3-(4-phosphonooxyphenyl)-2-(pyridine-3-carbonylamino)propanoyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[1-oxo-2-[[oxo(3-pyridinyl)methyl]amino]-3-(4-phosphonooxyphenyl)propyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[3-(4-phosphonooxyphenyl)-2-(pyridine-3-carbonylamino)propanoyl]amino]pentanoic acid Traditional Name: 4-methyl-2-[[2-nicotinamido-3-(4-phosphonooxyphenyl)propanoyl]amino]valeric acid Formula: C21H26N3O8P MolecularWeight: 479.420201

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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=CN=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)OP(=O)(O)O)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C21H26N3O8P/c1-13(2)10-18(21(27)28)24-20(26)17(23-19(25)15-4-3-9-22-12-15)11-14-5-7-16(8-6-14)32-33(29,30)31/h3-9,12-13,17-18H,10-11H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)(H2,29,30,31)