[3-azanyl-5-[5-(4-cyclohexylbutanoyl)-1-methyl-pyrrol-2-yl]-3-methyl-pentyl]phosphonic acid

Systemtic Name: [3-azanyl-5-[5-(4-cyclohexylbutanoyl)-1-methyl-pyrrol-2-yl]-3-methyl-pentyl]phosphonic acid Openeye Name: [3-amino-5-[5-(4-cyclohexylbutanoyl)-1-methyl-pyrrol-2-yl]-3-methyl-pentyl]phosphonic acid CAS Name: [3-amino-5-[5-(4-cyclohexyl-1-oxobutyl)-1-methyl-2-pyrrolyl]-3-methylpentyl]phosphonic acid IUPAC Name: [3-amino-5-[5-(4-cyclohexylbutanoyl)-1-methylpyrrol-2-yl]-3-methylpentyl]phosphonic acid Traditional Name: [3-amino-5-[5-(4-cyclohexylbutanoyl)-1-methyl-pyrrol-2-yl]-3-methyl-pentyl]phosphonic acid Formula: C21H37N2O4P MolecularWeight: 412.503241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(N1C)C(=O)CCCC2CCCCC2)(CCP(=O)(O)O)N

Isomeric SMILES

CC(CCC1=CC=C(N1C)C(=O)CCCC2CCCCC2)(CCP(=O)(O)O)N

InChI

InChI=1S/C21H37N2O4P/c1-21(22,15-16-28(25,26)27)14-13-18-11-12-19(23(18)2)20(24)10-6-9-17-7-4-3-5-8-17/h11-12,17H,3-10,13-16,22H2,1-2H3,(H2,25,26,27)