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

Systemtic Name: 2-[2-(5-carbamimidoyl-2-phenoxy-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-3-methyl-pentanoic acid Openeye Name: 2-[2-(5-carbamimidoyl-2-phenoxy-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-3-methyl-pentanoic acid CAS Name: 2-[2-(5-carbamimidoyl-2-phenoxyphenoxy)-6-[3-[dimethylamino(oxo)methyl]phenoxy]-8-methyl-9-purinyl]-3-methylpentanoic acid IUPAC Name: 2-[2-(5-carbamimidoyl-2-phenoxyphenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methylpurin-9-yl]-3-methylpentanoic acid Traditional Name: 2-[2-(5-amidino-2-phenoxy-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-3-methyl-valeric acid Formula: C34H35N7O6 MolecularWeight: 637.685

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)N1C(=NC2=C1N=C(N=C2OC3=CC=CC(=C3)C(=O)N(C)C)OC4=C(C=CC(=C4)C(=N)N)OC5=CC=CC=C5)C

Isomeric SMILES

CCC(C)C(C(=O)O)N1C(=NC2=C1N=C(N=C2OC3=CC=CC(=C3)C(=O)N(C)C)OC4=C(C=CC(=C4)C(=N)N)OC5=CC=CC=C5)C

InChI

InChI=1S/C34H35N7O6/c1-6-19(2)28(33(43)44)41-20(3)37-27-30(41)38-34(39-31(27)46-24-14-10-11-22(17-24)32(42)40(4)5)47-26-18-21(29(35)36)15-16-25(26)45-23-12-8-7-9-13-23/h7-19,28H,6H2,1-5H3,(H3,35,36)(H,43,44)