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

Systemtic Name: 4-methylsulfanyl-2-[[2-phenyl-4-[(2-phenyl-1H-imidazol-5-yl)methylamino]phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-phenyl-4-[(2-phenyl-1H-imidazol-5-yl)methylamino]benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[2-phenyl-4-[(2-phenyl-1H-imidazol-5-yl)methylamino]phenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-phenyl-4-[(2-phenyl-1H-imidazol-5-yl)methylamino]benzoyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-[(2-phenyl-1H-imidazol-5-yl)methylamino]benzoyl]amino]butyric acid Formula: C28H28N4O3S MolecularWeight: 500.61192

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NCC2=CN=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NCC2=CN=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H28N4O3S/c1-36-15-14-25(28(34)35)32-27(33)23-13-12-21(16-24(23)19-8-4-2-5-9-19)29-17-22-18-30-26(31-22)20-10-6-3-7-11-20/h2-13,16,18,25,29H,14-15,17H2,1H3,(H,30,31)(H,32,33)(H,34,35)