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

Systemtic Name: 2-[[2-[(6-azanylpyridin-3-yl)carbonylamino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[(6-aminopyridine-3-carbonyl)amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[(6-amino-3-pyridinyl)-oxomethyl]amino]-1-oxo-3-(4-phosphonooxyphenyl)propyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[(6-aminopyridine-3-carbonyl)amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[(6-aminonicotinoyl)amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-methyl-valeric acid Formula: C21H27N4O8P MolecularWeight: 494.434841

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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=C(C=C2)N

Isomeric SMILES

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

InChI

InChI=1S/C21H27N4O8P/c1-12(2)9-17(21(28)29)25-20(27)16(24-19(26)14-5-8-18(22)23-11-14)10-13-3-6-15(7-4-13)33-34(30,31)32/h3-8,11-12,16-17H,9-10H2,1-2H3,(H2,22,23)(H,24,26)(H,25,27)(H,28,29)(H2,30,31,32)