3-[3-aminocarbonyl-2-methyl-5-(2-methylpentyl)-4-(4-phosphonooxyphenyl)pyrrol-1-yl]propyl dihydrogen phosphate

Systemtic Name: 3-[3-aminocarbonyl-2-methyl-5-(2-methylpentyl)-4-(4-phosphonooxyphenyl)pyrrol-1-yl]propyl dihydrogen phosphate Openeye Name: 3-[3-carbamoyl-2-methyl-5-(2-methylpentyl)-4-(4-phosphonooxyphenyl)pyrrol-1-yl]propyl dihydrogen phosphate CAS Name: 3-[3-carbamoyl-2-methyl-5-(2-methylpentyl)-4-(4-phosphonooxyphenyl)-1-pyrrolyl]propyl dihydrogen phosphate IUPAC Name: 3-[3-carbamoyl-2-methyl-5-(2-methylpentyl)-4-(4-phosphonooxyphenyl)pyrrol-1-yl]propyl dihydrogen phosphate Traditional Name: 3-[3-carbamoyl-2-methyl-5-(2-methylpentyl)-4-(4-phosphonooxyphenyl)pyrrol-1-yl]propyl dihydrogen phosphate Formula: C21H32N2O9P2 MolecularWeight: 518.434302

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CC1=C(C(=C(N1CCCOP(=O)(O)O)C)C(=O)N)C2=CC=C(C=C2)OP(=O)(O)O

Isomeric SMILES

CCCC(C)CC1=C(C(=C(N1CCCOP(=O)(O)O)C)C(=O)N)C2=CC=C(C=C2)OP(=O)(O)O

InChI

InChI=1S/C21H32N2O9P2/c1-4-6-14(2)13-18-20(16-7-9-17(10-8-16)32-34(28,29)30)19(21(22)24)15(3)23(18)11-5-12-31-33(25,26)27/h7-10,14H,4-6,11-13H2,1-3H3,(H2,22,24)(H2,25,26,27)(H2,28,29,30)