2-azanyl-5-(1H-imidazol-5-ylmethylsulfanyl)-2-[2-(2-methylphenyl)phenyl]carbonyl-4-methylsulfanyl-pentanoic acid

Systemtic Name: 2-azanyl-5-(1H-imidazol-5-ylmethylsulfanyl)-2-[2-(2-methylphenyl)phenyl]carbonyl-4-methylsulfanyl-pentanoic acid Openeye Name: 2-amino-5-(1H-imidazol-5-ylmethylsulfanyl)-4-methylsulfanyl-2-[2-(o-tolyl)benzoyl]pentanoic acid CAS Name: 2-amino-5-(1H-imidazol-5-ylmethylthio)-2-[[2-(2-methylphenyl)phenyl]-oxomethyl]-4-(methylthio)pentanoic acid IUPAC Name: 2-amino-5-(1H-imidazol-5-ylmethylsulfanyl)-2-[2-(2-methylphenyl)benzoyl]-4-methylsulfanylpentanoic acid Traditional Name: 2-amino-5-(1H-imidazol-5-ylmethylthio)-4-(methylthio)-2-[2-(o-tolyl)benzoyl]valeric acid Formula: C24H27N3O3S2 MolecularWeight: 469.61948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC=CC=C2C(=O)C(CC(CSCC3=CN=CN3)SC)(C(=O)O)N

Isomeric SMILES

CC1=CC=CC=C1C2=CC=CC=C2C(=O)C(CC(CSCC3=CN=CN3)SC)(C(=O)O)N

InChI

InChI=1S/C24H27N3O3S2/c1-16-7-3-4-8-19(16)20-9-5-6-10-21(20)22(28)24(25,23(29)30)11-18(31-2)14-32-13-17-12-26-15-27-17/h3-10,12,15,18H,11,13-14,25H2,1-2H3,(H,26,27)(H,29,30)