2-[[2-(2-methylphenyl)-4-[(2-propan-2-ylphenyl)methoxymethyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-[(2-propan-2-ylphenyl)methoxymethyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[(2-isopropylphenyl)methoxymethyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-[(2-propan-2-ylphenyl)methoxymethyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-[(2-propan-2-ylphenyl)methoxymethyl]benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[(2-isopropylbenzyl)oxymethyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C30H35NO4S MolecularWeight: 505.6682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)COCC3=CC=CC=C3C(C)C)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)COCC3=CC=CC=C3C(C)C)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C30H35NO4S/c1-20(2)24-11-8-6-10-23(24)19-35-18-22-13-14-26(27(17-22)25-12-7-5-9-21(25)3)29(32)31-28(30(33)34)15-16-36-4/h5-14,17,20,28H,15-16,18-19H2,1-4H3,(H,31,32)(H,33,34)