2-[2-(5-carbamimidoyl-2-phenylmethoxycarbonyl-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[2-(5-carbamimidoyl-2-phenylmethoxycarbonyl-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-3-oxidanyl-butanoic acid Openeye Name: 2-[2-(2-benzyloxycarbonyl-5-carbamimidoyl-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-3-hydroxy-butanoic acid CAS Name: 2-[2-(5-carbamimidoyl-2-phenylmethoxycarbonylphenoxy)-6-[3-[dimethylamino(oxo)methyl]phenoxy]-8-methyl-9-purinyl]-3-hydroxybutanoic acid IUPAC Name: 2-[2-(5-carbamimidoyl-2-phenylmethoxycarbonylphenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methylpurin-9-yl]-3-hydroxybutanoic acid Traditional Name: 2-[2-(5-amidino-2-carbobenzoxy-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-3-hydroxy-butyric acid Formula: C34H33N7O8 MolecularWeight: 667.66792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C(C(C)O)C(=O)O)N=C(N=C2OC3=CC=CC(=C3)C(=O)N(C)C)OC4=C(C=CC(=C4)C(=N)N)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(N1C(C(C)O)C(=O)O)N=C(N=C2OC3=CC=CC(=C3)C(=O)N(C)C)OC4=C(C=CC(=C4)C(=N)N)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C34H33N7O8/c1-18(42)27(32(44)45)41-19(2)37-26-29(41)38-34(39-30(26)48-23-12-8-11-22(15-23)31(43)40(3)4)49-25-16-21(28(35)36)13-14-24(25)33(46)47-17-20-9-6-5-7-10-20/h5-16,18,27,42H,17H2,1-4H3,(H3,35,36)(H,44,45)