2-[2-(5-carbamimidoyl-2-ethoxy-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-4-methyl-pentanoic acid

Systemtic Name: 2-[2-(5-carbamimidoyl-2-ethoxy-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-4-methyl-pentanoic acid Openeye Name: 2-[2-(5-carbamimidoyl-2-ethoxy-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-4-methyl-pentanoic acid CAS Name: 2-[2-(5-carbamimidoyl-2-ethoxyphenoxy)-6-[3-[dimethylamino(oxo)methyl]phenoxy]-8-methyl-9-purinyl]-4-methylpentanoic acid IUPAC Name: 2-[2-(5-carbamimidoyl-2-ethoxyphenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methylpurin-9-yl]-4-methylpentanoic acid Traditional Name: 2-[2-(5-amidino-2-ethoxy-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-4-methyl-valeric acid Formula: C30H35N7O6 MolecularWeight: 589.6422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=N)N)OC2=NC3=C(C(=N2)OC4=CC=CC(=C4)C(=O)N(C)C)N=C(N3C(CC(C)C)C(=O)O)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=N)N)OC2=NC3=C(C(=N2)OC4=CC=CC(=C4)C(=O)N(C)C)N=C(N3C(CC(C)C)C(=O)O)C

InChI

InChI=1S/C30H35N7O6/c1-7-41-22-12-11-18(25(31)32)15-23(22)43-30-34-26-24(33-17(4)37(26)21(29(39)40)13-16(2)3)27(35-30)42-20-10-8-9-19(14-20)28(38)36(5)6/h8-12,14-16,21H,7,13H2,1-6H3,(H3,31,32)(H,39,40)