2-[2-(6-aminopurin-9-yl)ethanoyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]ethanoic acid

Systemtic Name: 2-[2-(6-aminopurin-9-yl)ethanoyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]ethanoic acid Openeye Name: 2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[tert-butoxycarbonyl(methyl)amino]ethyl]amino]acetic acid CAS Name: 2-[[2-(6-aminopurin-9-yl)-1-oxoethyl]-[2-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]amino]acetic acid IUPAC Name: 2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]acetic acid Traditional Name: 2-[(2-adenin-9-ylacetyl)-[2-[tert-butoxycarbonyl(methyl)amino]ethyl]amino]acetic acid Formula: C17H25N7O5 MolecularWeight: 407.4243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)CCN(CC(=O)O)C(=O)CN1C=NC2=C1N=CN=C2N

Isomeric SMILES

CC(C)(C)OC(=O)N(C)CCN(CC(=O)O)C(=O)CN1C=NC2=C1N=CN=C2N

InChI

InChI=1S/C17H25N7O5/c1-17(2,3)29-16(28)22(4)5-6-23(8-12(26)27)11(25)7-24-10-21-13-14(18)19-9-20-15(13)24/h9-10H,5-8H2,1-4H3,(H,26,27)(H2,18,19,20)