3-[4-aminocarbonyl-3-(3-chloranyl-4-phosphonooxy-phenyl)-2-(2-methylpentyl)-5-phenethyl-pyrrol-1-yl]propyl dihydrogen phosphate

Systemtic Name: 3-[4-aminocarbonyl-3-(3-chloranyl-4-phosphonooxy-phenyl)-2-(2-methylpentyl)-5-phenethyl-pyrrol-1-yl]propyl dihydrogen phosphate Openeye Name: 3-[4-carbamoyl-3-(3-chloro-4-phosphonooxy-phenyl)-2-(2-methylpentyl)-5-phenethyl-pyrrol-1-yl]propyl dihydrogen phosphate CAS Name: 3-[4-carbamoyl-3-(3-chloro-4-phosphonooxyphenyl)-2-(2-methylpentyl)-5-phenethyl-1-pyrrolyl]propyl dihydrogen phosphate IUPAC Name: 3-[4-carbamoyl-3-(3-chloro-4-phosphonooxyphenyl)-2-(2-methylpentyl)-5-phenethylpyrrol-1-yl]propyl dihydrogen phosphate Traditional Name: 3-[4-carbamoyl-3-(3-chloro-4-phosphonooxy-phenyl)-2-(2-methylpentyl)-5-phenethyl-pyrrol-1-yl]propyl dihydrogen phosphate Formula: C28H37ClN2O9P2 MolecularWeight: 643.001902

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CC1=C(C(=C(N1CCCOP(=O)(O)O)CCC2=CC=CC=C2)C(=O)N)C3=CC(=C(C=C3)OP(=O)(O)O)Cl

Isomeric SMILES

CCCC(C)CC1=C(C(=C(N1CCCOP(=O)(O)O)CCC2=CC=CC=C2)C(=O)N)C3=CC(=C(C=C3)OP(=O)(O)O)Cl

InChI

InChI=1S/C28H37ClN2O9P2/c1-3-8-19(2)17-24-26(21-12-14-25(22(29)18-21)40-42(36,37)38)27(28(30)32)23(13-11-20-9-5-4-6-10-20)31(24)15-7-16-39-41(33,34)35/h4-6,9-10,12,14,18-19H,3,7-8,11,13,15-17H2,1-2H3,(H2,30,32)(H2,33,34,35)(H2,36,37,38)