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

Systemtic Name: 2-[2-(6-aminopurin-9-yl)ethanoyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethanoic acid Openeye Name: 2-[[2-(6-aminopurin-9-yl)acetyl]-[2-(tert-butoxycarbonylamino)ethyl]amino]acetic acid CAS Name: 2-[[2-(6-aminopurin-9-yl)-1-oxoethyl]-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]amino]acetic acid IUPAC Name: 2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid Traditional Name: 2-[(2-adenin-9-ylacetyl)-[2-(tert-butoxycarbonylamino)ethyl]amino]acetic acid Formula: C16H23N7O5 MolecularWeight: 393.39772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N7O5/c1-16(2,3)28-15(27)18-4-5-22(7-11(25)26)10(24)6-23-9-21-12-13(17)19-8-20-14(12)23/h8-9H,4-7H2,1-3H3,(H,18,27)(H,25,26)(H2,17,19,20)