2-[[2-(2-methylphenyl)-4-(naphthalen-2-ylsulfanylmethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-(naphthalen-2-ylsulfanylmethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[4-(2-naphthylsulfanylmethyl)-2-(o-tolyl)benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-[(2-naphthalenylthio)methyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-(naphthalen-2-ylsulfanylmethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[4-[(2-naphthylthio)methyl]-2-(o-tolyl)benzoyl]amino]butyric acid Formula: C30H29NO3S2 MolecularWeight: 515.68616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CSC3=CC4=CC=CC=C4C=C3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CSC3=CC4=CC=CC=C4C=C3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C30H29NO3S2/c1-20-7-3-6-10-25(20)27-17-21(19-36-24-13-12-22-8-4-5-9-23(22)18-24)11-14-26(27)29(32)31-28(30(33)34)15-16-35-2/h3-14,17-18,28H,15-16,19H2,1-2H3,(H,31,32)(H,33,34)