2-[[2-(2-methylphenyl)-4-(3-naphthalen-2-ylpropyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-(3-naphthalen-2-ylpropyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[4-[3-(2-naphthyl)propyl]-2-(o-tolyl)benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-[3-(2-naphthalenyl)propyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-(3-naphthalen-2-ylpropyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[4-[3-(2-naphthyl)propyl]-2-(o-tolyl)benzoyl]amino]butyric acid Formula: C32H33NO3S MolecularWeight: 511.67432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CCCC3=CC4=CC=CC=C4C=C3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CCCC3=CC4=CC=CC=C4C=C3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C32H33NO3S/c1-22-8-3-6-13-27(22)29-21-24(10-7-9-23-14-16-25-11-4-5-12-26(25)20-23)15-17-28(29)31(34)33-30(32(35)36)18-19-37-2/h3-6,8,11-17,20-21,30H,7,9-10,18-19H2,1-2H3,(H,33,34)(H,35,36)