4-methyl-2-[[2-[(5-methylpyrazin-2-yl)carbonylamino]-3-(4-phosphonooxyphenyl)propanoyl]amino]pentanoic acid

Systemtic Name: 4-methyl-2-[[2-[(5-methylpyrazin-2-yl)carbonylamino]-3-(4-phosphonooxyphenyl)propanoyl]amino]pentanoic acid Openeye Name: 4-methyl-2-[[2-[(5-methylpyrazine-2-carbonyl)amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[2-[[(5-methyl-2-pyrazinyl)-oxomethyl]amino]-1-oxo-3-(4-phosphonooxyphenyl)propyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[2-[(5-methylpyrazine-2-carbonyl)amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]pentanoic acid Traditional Name: 4-methyl-2-[[2-[(5-methylpyrazinoyl)amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]valeric acid Formula: C21H27N4O8P MolecularWeight: 494.434841

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=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(N=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/C21H27N4O8P/c1-12(2)8-17(21(28)29)25-19(26)16(24-20(27)18-11-22-13(3)10-23-18)9-14-4-6-15(7-5-14)33-34(30,31)32/h4-7,10-12,16-17H,8-9H2,1-3H3,(H,24,27)(H,25,26)(H,28,29)(H2,30,31,32)