(2R)-2-[2-(1-cyclohexyl-2-pyridin-2-yl-benzimidazol-5-yl)ethanoylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: (2R)-2-[2-(1-cyclohexyl-2-pyridin-2-yl-benzimidazol-5-yl)ethanoylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: (2R)-2-[[2-[1-cyclohexyl-2-(2-pyridyl)benzimidazol-5-yl]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: (2R)-2-[[2-[1-cyclohexyl-2-(2-pyridinyl)-5-benzimidazolyl]-1-oxoethyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2R)-2-[[2-(1-cyclohexyl-2-pyridin-2-ylbenzimidazol-5-yl)acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: (2R)-2-[[2-[1-cyclohexyl-2-(2-pyridyl)benzimidazol-5-yl]acetyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C29H30N4O4 MolecularWeight: 498.5729

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)CC(=O)NC(CC4=CC=C(C=C4)O)C(=O)O)N=C2C5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)CC(=O)N[C@H](CC4=CC=C(C=C4)O)C(=O)O)N=C2C5=CC=CC=N5

InChI

InChI=1S/C29H30N4O4/c34-22-12-9-19(10-13-22)16-25(29(36)37)31-27(35)18-20-11-14-26-24(17-20)32-28(23-8-4-5-15-30-23)33(26)21-6-2-1-3-7-21/h4-5,8-15,17,21,25,34H,1-3,6-7,16,18H2,(H,31,35)(H,36,37)/t25-/m1/s1