2-[[4-[(3-methoxyphenyl)methoxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[(3-methoxyphenyl)methoxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[(3-methoxyphenyl)methoxymethyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[(3-methoxyphenyl)methoxymethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(3-methoxyphenyl)methoxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-(m-anisyloxymethyl)-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C28H31NO5S MolecularWeight: 493.61444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)COCC3=CC(=CC=C3)OC)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)COCC3=CC(=CC=C3)OC)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C28H31NO5S/c1-19-7-4-5-10-23(19)25-16-21(18-34-17-20-8-6-9-22(15-20)33-2)11-12-24(25)27(30)29-26(28(31)32)13-14-35-3/h4-12,15-16,26H,13-14,17-18H2,1-3H3,(H,29,30)(H,31,32)