(2S)-2-[[2-(furan-3-yl)-1-[(1R,2R)-2-phenylmethoxycyclopentyl]benzimidazol-5-yl]carbonylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[[2-(furan-3-yl)-1-[(1R,2R)-2-phenylmethoxycyclopentyl]benzimidazol-5-yl]carbonylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[[1-[(1R,2R)-2-benzyloxycyclopentyl]-2-(3-furyl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[[2-(3-furanyl)-1-[(1R,2R)-2-phenylmethoxycyclopentyl]-5-benzimidazolyl]-oxomethyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[[2-(furan-3-yl)-1-[(1R,2R)-2-phenylmethoxycyclopentyl]benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[[1-[(1R,2R)-2-benzoxycyclopentyl]-2-(3-furyl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propionic acid Formula: C35H32N4O6 MolecularWeight: 604.65178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)OCC2=CC=CC=C2)N3C4=C(C=C(C=C4)C(=O)NC(CC5=CNC6=C5C=C(C=C6)O)C(=O)O)N=C3C7=COC=C7

Isomeric SMILES

C1C[C@H]([C@@H](C1)OCC2=CC=CC=C2)N3C4=C(C=C(C=C4)C(=O)N[C@@H](CC5=CNC6=C5C=C(C=C6)O)C(=O)O)N=C3C7=COC=C7

InChI

InChI=1S/C35H32N4O6/c40-25-10-11-27-26(17-25)24(18-36-27)16-29(35(42)43)38-34(41)22-9-12-30-28(15-22)37-33(23-13-14-44-20-23)39(30)31-7-4-8-32(31)45-19-21-5-2-1-3-6-21/h1-3,5-6,9-15,17-18,20,29,31-32,36,40H,4,7-8,16,19H2,(H,38,41)(H,42,43)/t29-,31+,32+/m0/s1