2-[[4-[(2-methyl-1H-imidazol-5-yl)methylamino]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[(2-methyl-1H-imidazol-5-yl)methylamino]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[(2-methyl-1H-imidazol-5-yl)methylamino]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[(2-methyl-1H-imidazol-5-yl)methylamino]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(2-methyl-1H-imidazol-5-yl)methylamino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[(2-methyl-1H-imidazol-5-yl)methylamino]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1)CNC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=NC=C(N1)CNC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C23H26N4O3S/c1-15-24-13-18(26-15)14-25-17-8-9-19(20(12-17)16-6-4-3-5-7-16)22(28)27-21(23(29)30)10-11-31-2/h3-9,12-13,21,25H,10-11,14H2,1-2H3,(H,24,26)(H,27,28)(H,29,30)