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

Systemtic Name: 2-[[2-[heptyl(phenylcarbamoyl)amino]-2,3-dihydro-1H-inden-5-yl]sulfanyl]-2-methyl-propanoic acid Openeye Name: 2-[2-[heptyl(phenylcarbamoyl)amino]indan-5-yl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-[[2-[[anilino(oxo)methyl]-heptylamino]-2,3-dihydro-1H-inden-5-yl]thio]-2-methylpropanoic acid IUPAC Name: 2-[[2-[heptyl(phenylcarbamoyl)amino]-2,3-dihydro-1H-inden-5-yl]sulfanyl]-2-methylpropanoic acid Traditional Name: 2-[[2-[heptyl(phenylcarbamoyl)amino]indan-5-yl]thio]-2-methyl-propionic acid Formula: C27H36N2O3S MolecularWeight: 468.65134

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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=C3

Isomeric SMILES

CCCCCCCN(C1CC2=C(C1)C=C(C=C2)SC(C)(C)C(=O)O)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C27H36N2O3S/c1-4-5-6-7-11-16-29(26(32)28-22-12-9-8-10-13-22)23-17-20-14-15-24(19-21(20)18-23)33-27(2,3)25(30)31/h8-10,12-15,19,23H,4-7,11,16-18H2,1-3H3,(H,28,32)(H,30,31)