2-azanyl-2-[2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylethenyl]phenyl]carbonyl-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-azanyl-2-[2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylethenyl]phenyl]carbonyl-4-methylsulfanyl-butanoic acid Openeye Name: 2-amino-4-methylsulfanyl-2-[2-(o-tolyl)-4-[(E)-2-(3-pyridyl)vinyl]benzoyl]butanoic acid CAS Name: 2-amino-2-[[2-(2-methylphenyl)-4-[(E)-2-(3-pyridinyl)ethenyl]phenyl]-oxomethyl]-4-(methylthio)butanoic acid IUPAC Name: 2-amino-2-[2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylethenyl]benzoyl]-4-methylsulfanylbutanoic acid Traditional Name: 2-amino-4-(methylthio)-2-[2-(o-tolyl)-4-[(E)-2-(3-pyridyl)vinyl]benzoyl]butyric acid Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C=CC3=CN=CC=C3)C(=O)C(CCSC)(C(=O)O)N

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)/C=C/C3=CN=CC=C3)C(=O)C(CCSC)(C(=O)O)N

InChI

InChI=1S/C26H26N2O3S/c1-18-6-3-4-8-21(18)23-16-19(9-10-20-7-5-14-28-17-20)11-12-22(23)24(29)26(27,25(30)31)13-15-32-2/h3-12,14,16-17H,13,15,27H2,1-2H3,(H,30,31)/b10-9+