6-bromanyl-2-[2-methylpropyl(phosphonomethyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-2-[2-methylpropyl(phosphonomethyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[isobutyl(phosphonomethyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[2-methylpropyl(phosphonomethyl)amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 6-bromo-2-[2-methylpropyl(phosphonomethyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-[isobutyl(phosphonomethyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C16H22BrN2O6P MolecularWeight: 449.233441

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CP(=O)(O)O)C(=O)N1CC2=C(CC1C(=O)O)C=C(C=C2)Br

Isomeric SMILES

CC(C)CN(CP(=O)(O)O)C(=O)N1CC2=C(CC1C(=O)O)C=C(C=C2)Br

InChI

InChI=1S/C16H22BrN2O6P/c1-10(2)7-18(9-26(23,24)25)16(22)19-8-11-3-4-13(17)5-12(11)6-14(19)15(20)21/h3-5,10,14H,6-9H2,1-2H3,(H,20,21)(H2,23,24,25)