[3-azanyl-5-[5-(5-cyclohexylpentanoyl)-2-methyl-pyrrol-2-yl]-3-methyl-pentyl]phosphonic acid

Systemtic Name: [3-azanyl-5-[5-(5-cyclohexylpentanoyl)-2-methyl-pyrrol-2-yl]-3-methyl-pentyl]phosphonic acid Openeye Name: [3-amino-5-[5-(5-cyclohexylpentanoyl)-2-methyl-pyrrol-2-yl]-3-methyl-pentyl]phosphonic acid CAS Name: [3-amino-5-[5-(5-cyclohexyl-1-oxopentyl)-2-methyl-2-pyrrolyl]-3-methylpentyl]phosphonic acid IUPAC Name: [3-amino-5-[5-(5-cyclohexylpentanoyl)-2-methylpyrrol-2-yl]-3-methylpentyl]phosphonic acid Traditional Name: [3-amino-5-[5-(5-cyclohexylpentanoyl)-2-methyl-pyrrol-2-yl]-3-methyl-pentyl]phosphonic acid Formula: C22H39N2O4P MolecularWeight: 426.529821

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(=N1)C(=O)CCCCC2CCCCC2)CCC(C)(CCP(=O)(O)O)N

Isomeric SMILES

CC1(C=CC(=N1)C(=O)CCCCC2CCCCC2)CCC(C)(CCP(=O)(O)O)N

InChI

InChI=1S/C22H39N2O4P/c1-21(23,16-17-29(26,27)28)14-15-22(2)13-12-19(24-22)20(25)11-7-6-10-18-8-4-3-5-9-18/h12-13,18H,3-11,14-17,23H2,1-2H3,(H2,26,27,28)