2-[[4-[(4-methoxyphenyl)methylsulfanylmethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[(4-methoxyphenyl)methylsulfanylmethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[(4-methoxyphenyl)methylsulfanylmethyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[[(4-methoxyphenyl)methylthio]methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(4-methoxyphenyl)methylsulfanylmethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[2-(o-tolyl)-4-[(p-anisylthio)methyl]benzoyl]amino]butyric acid Formula: C28H31NO4S2 MolecularWeight: 509.68004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CSCC3=CC=C(C=C3)OC)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CSCC3=CC=C(C=C3)OC)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C28H31NO4S2/c1-19-6-4-5-7-23(19)25-16-21(18-35-17-20-8-11-22(33-2)12-9-20)10-13-24(25)27(30)29-26(28(31)32)14-15-34-3/h4-13,16,26H,14-15,17-18H2,1-3H3,(H,29,30)(H,31,32)