4-[[2-[2-[2-[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]phenoxy]ethanoylamino]ethylamino]-2-oxidanylidene-ethyl]-(carboxymethyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2-[2-[2-[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]phenoxy]ethanoylamino]ethylamino]-2-oxidanylidene-ethyl]-(carboxymethyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[carboxymethyl-[2-[2-[[2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetyl]amino]ethylamino]-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 4-[carboxymethyl-[2-[2-[[2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]-1-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[carboxymethyl-[2-[2-[[2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetyl]amino]ethylamino]-2-oxoethyl]amino]-4-oxobutanoic acid Traditional Name: 4-[carboxymethyl-[2-[2-[[2-[4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetyl]amino]ethylamino]-2-keto-ethyl]amino]-4-keto-butyric acid Formula: C29H37N7O10 MolecularWeight: 643.64498

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NCCNC(=O)CN(CC(=O)O)C(=O)CCC(=O)O

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NCCNC(=O)CN(CC(=O)O)C(=O)CCC(=O)O

InChI

InChI=1S/C29H37N7O10/c1-3-13-35-27-25(28(44)36(14-4-2)29(35)45)32-26(33-27)18-5-7-19(8-6-18)46-17-21(38)31-12-11-30-20(37)15-34(16-24(42)43)22(39)9-10-23(40)41/h5-8H,3-4,9-17H2,1-2H3,(H,30,37)(H,31,38)(H,32,33)(H,40,41)(H,42,43)