5-(aminocarbonylamino)-2-[5-[6-(dimethylamino)purin-9-yl]pentoxycarbonylamino]pentanoic acid

Systemtic Name: 5-(aminocarbonylamino)-2-[5-[6-(dimethylamino)purin-9-yl]pentoxycarbonylamino]pentanoic acid Openeye Name: 2-[5-[6-(dimethylamino)purin-9-yl]pentoxycarbonylamino]-5-ureido-pentanoic acid CAS Name: 5-(carbamoylamino)-2-[[5-[6-(dimethylamino)-9-purinyl]pentoxy-oxomethyl]amino]pentanoic acid IUPAC Name: 5-(carbamoylamino)-2-[5-[6-(dimethylamino)purin-9-yl]pentoxycarbonylamino]pentanoic acid Traditional Name: 2-[5-[6-(dimethylamino)purin-9-yl]pentoxycarbonylamino]-5-ureido-valeric acid Formula: C19H30N8O5 MolecularWeight: 450.4921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=NC2=C1N=CN2CCCCCOC(=O)NC(CCCNC(=O)N)C(=O)O

Isomeric SMILES

CN(C)C1=NC=NC2=C1N=CN2CCCCCOC(=O)NC(CCCNC(=O)N)C(=O)O

InChI

InChI=1S/C19H30N8O5/c1-26(2)15-14-16(23-11-22-15)27(12-24-14)9-4-3-5-10-32-19(31)25-13(17(28)29)7-6-8-21-18(20)30/h11-13H,3-10H2,1-2H3,(H,25,31)(H,28,29)(H3,20,21,30)