(2S)-2-[[1-cyclohexyl-2-(1-methylimidazol-2-yl)benzimidazol-5-yl]carbonylamino]-3-(2-methyl-5-oxidanyl-1H-indol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[[1-cyclohexyl-2-(1-methylimidazol-2-yl)benzimidazol-5-yl]carbonylamino]-3-(2-methyl-5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[[1-cyclohexyl-2-(1-methylimidazol-2-yl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-2-methyl-1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[[1-cyclohexyl-2-(1-methyl-2-imidazolyl)-5-benzimidazolyl]-oxomethyl]amino]-3-(5-hydroxy-2-methyl-1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[[1-cyclohexyl-2-(1-methylimidazol-2-yl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-2-methyl-1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[[1-cyclohexyl-2-(1-methylimidazol-2-yl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-2-methyl-1H-indol-3-yl)propionic acid Formula: C30H32N6O4 MolecularWeight: 540.61288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)O)CC(C(=O)O)NC(=O)C3=CC4=C(C=C3)N(C(=N4)C5=NC=CN5C)C6CCCCC6

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)O)C[C@@H](C(=O)O)NC(=O)C3=CC4=C(C=C3)N(C(=N4)C5=NC=CN5C)C6CCCCC6

InChI

InChI=1S/C30H32N6O4/c1-17-21(22-15-20(37)9-10-23(22)32-17)16-25(30(39)40)34-29(38)18-8-11-26-24(14-18)33-28(27-31-12-13-35(27)2)36(26)19-6-4-3-5-7-19/h8-15,19,25,32,37H,3-7,16H2,1-2H3,(H,34,38)(H,39,40)/t25-/m0/s1