(2S)-2-[(1-cyclohexyl-2-methyl-benzimidazol-5-yl)carbonylamino]-3-(6-oxidanyl-1H-indol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[(1-cyclohexyl-2-methyl-benzimidazol-5-yl)carbonylamino]-3-(6-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[(1-cyclohexyl-2-methyl-benzimidazole-5-carbonyl)amino]-3-(6-hydroxy-1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[(1-cyclohexyl-2-methyl-5-benzimidazolyl)-oxomethyl]amino]-3-(6-hydroxy-1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[(1-cyclohexyl-2-methylbenzimidazole-5-carbonyl)amino]-3-(6-hydroxy-1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[(1-cyclohexyl-2-methyl-benzimidazole-5-carbonyl)amino]-3-(6-hydroxy-1H-indol-3-yl)propionic acid Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3CCCCC3)C=CC(=C2)C(=O)NC(CC4=CNC5=C4C=CC(=C5)O)C(=O)O

Isomeric SMILES

CC1=NC2=C(N1C3CCCCC3)C=CC(=C2)C(=O)N[C@@H](CC4=CNC5=C4C=CC(=C5)O)C(=O)O

InChI

InChI=1S/C26H28N4O4/c1-15-28-22-11-16(7-10-24(22)30(15)18-5-3-2-4-6-18)25(32)29-23(26(33)34)12-17-14-27-21-13-19(31)8-9-20(17)21/h7-11,13-14,18,23,27,31H,2-6,12H2,1H3,(H,29,32)(H,33,34)/t23-/m0/s1