2-[[2-[(2-fluorophenyl)carbamoyl-heptyl-amino]-2,3-dihydro-1H-inden-5-yl]sulfanyl]-2-methyl-propanoic acid

Systemtic Name: 2-[[2-[(2-fluorophenyl)carbamoyl-heptyl-amino]-2,3-dihydro-1H-inden-5-yl]sulfanyl]-2-methyl-propanoic acid Openeye Name: 2-[2-[(2-fluorophenyl)carbamoyl-heptyl-amino]indan-5-yl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-[[2-[[(2-fluoroanilino)-oxomethyl]-heptylamino]-2,3-dihydro-1H-inden-5-yl]thio]-2-methylpropanoic acid IUPAC Name: 2-[[2-[(2-fluorophenyl)carbamoyl-heptylamino]-2,3-dihydro-1H-inden-5-yl]sulfanyl]-2-methylpropanoic acid Traditional Name: 2-[[2-[(2-fluorophenyl)carbamoyl-heptyl-amino]indan-5-yl]thio]-2-methyl-propionic acid Formula: C27H35FN2O3S MolecularWeight: 486.641803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C1CC2=C(C1)C=C(C=C2)SC(C)(C)C(=O)O)C(=O)NC3=CC=CC=C3F

Isomeric SMILES

CCCCCCCN(C1CC2=C(C1)C=C(C=C2)SC(C)(C)C(=O)O)C(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C27H35FN2O3S/c1-4-5-6-7-10-15-30(26(33)29-24-12-9-8-11-23(24)28)21-16-19-13-14-22(18-20(19)17-21)34-27(2,3)25(31)32/h8-9,11-14,18,21H,4-7,10,15-17H2,1-3H3,(H,29,33)(H,31,32)