2-[[4-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-methoxy-methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-methoxy-methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[2-(3-fluorophenyl)thiazol-5-yl]-methoxy-methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[[2-(3-fluorophenyl)-5-thiazolyl]-methoxymethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-methoxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[2-(3-fluorophenyl)thiazol-5-yl]-methoxy-methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C30H29FN2O4S2 MolecularWeight: 564.690663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C(C3=CN=C(S3)C4=CC(=CC=C4)F)OC)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)C(C3=CN=C(S3)C4=CC(=CC=C4)F)OC)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C30H29FN2O4S2/c1-18-7-4-5-10-22(18)24-16-19(11-12-23(24)28(34)33-25(30(35)36)13-14-38-3)27(37-2)26-17-32-29(39-26)20-8-6-9-21(31)15-20/h4-12,15-17,25,27H,13-14H2,1-3H3,(H,33,34)(H,35,36)