2-[[2-[(4-tert-butylphenyl)carbamoyl-pentyl-amino]-2,3-dihydro-1H-inden-5-yl]sulfanyl]-2-methyl-propanoic acid

Systemtic Name: 2-[[2-[(4-tert-butylphenyl)carbamoyl-pentyl-amino]-2,3-dihydro-1H-inden-5-yl]sulfanyl]-2-methyl-propanoic acid Openeye Name: 2-[2-[(4-tert-butylphenyl)carbamoyl-pentyl-amino]indan-5-yl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-[[2-[[(4-tert-butylanilino)-oxomethyl]-pentylamino]-2,3-dihydro-1H-inden-5-yl]thio]-2-methylpropanoic acid IUPAC Name: 2-[[2-[(4-tert-butylphenyl)carbamoyl-pentylamino]-2,3-dihydro-1H-inden-5-yl]sulfanyl]-2-methylpropanoic acid Traditional Name: 2-[[2-[amyl-[(4-tert-butylphenyl)carbamoyl]amino]indan-5-yl]thio]-2-methyl-propionic acid Formula: C29H40N2O3S MolecularWeight: 496.7045

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N2O3S/c1-7-8-9-16-31(27(34)30-23-13-11-22(12-14-23)28(2,3)4)24-17-20-10-15-25(19-21(20)18-24)35-29(5,6)26(32)33/h10-15,19,24H,7-9,16-18H2,1-6H3,(H,30,34)(H,32,33)