2-azanyl-2-[2-(2-methylphenyl)-4-(thiophen-2-ylmethoxymethyl)phenyl]carbonyl-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-azanyl-2-[2-(2-methylphenyl)-4-(thiophen-2-ylmethoxymethyl)phenyl]carbonyl-4-methylsulfanyl-butanoic acid Openeye Name: 2-amino-4-methylsulfanyl-2-[2-(o-tolyl)-4-(2-thienylmethoxymethyl)benzoyl]butanoic acid CAS Name: 2-amino-2-[[2-(2-methylphenyl)-4-(thiophen-2-ylmethoxymethyl)phenyl]-oxomethyl]-4-(methylthio)butanoic acid IUPAC Name: 2-amino-2-[2-(2-methylphenyl)-4-(thiophen-2-ylmethoxymethyl)benzoyl]-4-methylsulfanylbutanoic acid Traditional Name: 2-amino-4-(methylthio)-2-[2-(o-tolyl)-4-(2-thenyloxymethyl)benzoyl]butyric acid Formula: C25H27NO4S2 MolecularWeight: 469.61618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)COCC3=CC=CS3)C(=O)C(CCSC)(C(=O)O)N

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)COCC3=CC=CS3)C(=O)C(CCSC)(C(=O)O)N

InChI

InChI=1S/C25H27NO4S2/c1-17-6-3-4-8-20(17)22-14-18(15-30-16-19-7-5-12-32-19)9-10-21(22)23(27)25(26,24(28)29)11-13-31-2/h3-10,12,14H,11,13,15-16,26H2,1-2H3,(H,28,29)