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

Systemtic Name: (2S)-2-[(1-cyclohexyl-2-pyrazin-2-yl-benzimidazol-5-yl)carbonylamino]-3-(2-methyl-5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[(1-cyclohexyl-2-pyrazin-2-yl-benzimidazole-5-carbonyl)amino]-3-(5-hydroxy-2-methyl-1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[[1-cyclohexyl-2-(2-pyrazinyl)-5-benzimidazolyl]-oxomethyl]amino]-3-(5-hydroxy-2-methyl-1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[(1-cyclohexyl-2-pyrazin-2-ylbenzimidazole-5-carbonyl)amino]-3-(5-hydroxy-2-methyl-1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[(1-cyclohexyl-2-pyrazin-2-yl-benzimidazole-5-carbonyl)amino]-3-(5-hydroxy-2-methyl-1H-indol-3-yl)propionic acid Formula: C30H30N6O4 MolecularWeight: 538.597

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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=CN=C5)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=CN=C5)C6CCCCC6

InChI

InChI=1S/C30H30N6O4/c1-17-21(22-14-20(37)8-9-23(22)33-17)15-25(30(39)40)35-29(38)18-7-10-27-24(13-18)34-28(26-16-31-11-12-32-26)36(27)19-5-3-2-4-6-19/h7-14,16,19,25,33,37H,2-6,15H2,1H3,(H,35,38)(H,39,40)/t25-/m0/s1