2-[[4-[(3-butyl-5-phenyl-thiophen-2-yl)methoxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[[4-[(3-butyl-5-phenyl-thiophen-2-yl)methoxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[[4-[(3-butyl-5-phenyl-2-thienyl)methoxymethyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[[4-[(3-butyl-5-phenyl-2-thiophenyl)methoxymethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[4-[(3-butyl-5-phenylthiophen-2-yl)methoxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[[4-[(3-butyl-5-phenyl-2-thienyl)methoxymethyl]-2-(o-tolyl)benzoyl]amino]-4-mesyl-butyric acid Formula: C35H39NO6S2 MolecularWeight: 633.81726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(SC(=C1)C2=CC=CC=C2)COCC3=CC(=C(C=C3)C(=O)NC(CCS(=O)(=O)C)C(=O)O)C4=CC=CC=C4C

Isomeric SMILES

CCCCC1=C(SC(=C1)C2=CC=CC=C2)COCC3=CC(=C(C=C3)C(=O)NC(CCS(=O)(=O)C)C(=O)O)C4=CC=CC=C4C

InChI

InChI=1S/C35H39NO6S2/c1-4-5-12-27-21-32(26-13-7-6-8-14-26)43-33(27)23-42-22-25-16-17-29(30(20-25)28-15-10-9-11-24(28)2)34(37)36-31(35(38)39)18-19-44(3,40)41/h6-11,13-17,20-21,31H,4-5,12,18-19,22-23H2,1-3H3,(H,36,37)(H,38,39)