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

Systemtic Name: 5-azanyl-2-[2-(2-azanyl-5-carbamimidoyl-phenoxy)-6-[2-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[2-(2-amino-5-carbamimidoyl-phenoxy)-6-[2-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[2-(2-amino-5-carbamimidoylphenoxy)-6-[2-[dimethylamino(oxo)methyl]phenoxy]-8-methyl-9-purinyl]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[2-(2-amino-5-carbamimidoylphenoxy)-6-[2-(dimethylcarbamoyl)phenoxy]-8-methylpurin-9-yl]-5-oxopentanoic acid Traditional Name: 2-[2-(5-amidino-2-amino-phenoxy)-6-[2-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-5-amino-5-keto-valeric acid Formula: C27H29N9O6 MolecularWeight: 575.57586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C(CCC(=O)N)C(=O)O)N=C(N=C2OC3=CC=CC=C3C(=O)N(C)C)OC4=C(C=CC(=C4)C(=N)N)N

Isomeric SMILES

CC1=NC2=C(N1C(CCC(=O)N)C(=O)O)N=C(N=C2OC3=CC=CC=C3C(=O)N(C)C)OC4=C(C=CC(=C4)C(=N)N)N

InChI

InChI=1S/C27H29N9O6/c1-13-32-21-23(36(13)17(26(39)40)10-11-20(29)37)33-27(42-19-12-14(22(30)31)8-9-16(19)28)34-24(21)41-18-7-5-4-6-15(18)25(38)35(2)3/h4-9,12,17H,10-11,28H2,1-3H3,(H2,29,37)(H3,30,31)(H,39,40)