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

Systemtic Name: (2S)-2-[(1-cyclohexyl-2-thiophen-2-yl-benzimidazol-5-yl)carbonylamino]-3-(2-methyl-5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[[1-cyclohexyl-2-(2-thienyl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-2-methyl-1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[(1-cyclohexyl-2-thiophen-2-yl-5-benzimidazolyl)-oxomethyl]amino]-3-(5-hydroxy-2-methyl-1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[(1-cyclohexyl-2-thiophen-2-ylbenzimidazole-5-carbonyl)amino]-3-(5-hydroxy-2-methyl-1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[[1-cyclohexyl-2-(2-thienyl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-2-methyl-1H-indol-3-yl)propionic acid Formula: C30H30N4O4S MolecularWeight: 542.6486

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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=CC=CS5)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=CC=CS5)C6CCCCC6

InChI

InChI=1S/C30H30N4O4S/c1-17-21(22-15-20(35)10-11-23(22)31-17)16-25(30(37)38)33-29(36)18-9-12-26-24(14-18)32-28(27-8-5-13-39-27)34(26)19-6-3-2-4-7-19/h5,8-15,19,25,31,35H,2-4,6-7,16H2,1H3,(H,33,36)(H,37,38)/t25-/m0/s1