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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N(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

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