2-[(2-azanyl-6-phenylmethoxy-purin-9-yl)carbonylamino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

Systemtic Name: 2-[(2-azanyl-6-phenylmethoxy-purin-9-yl)carbonylamino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Openeye Name: 2-[(2-amino-6-benzyloxy-purine-9-carbonyl)amino]-5-(tert-butoxycarbonylamino)pentanoic acid CAS Name: 2-[[(2-amino-6-phenylmethoxy-9-purinyl)-oxomethyl]amino]-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid IUPAC Name: 2-[(2-amino-6-phenylmethoxypurine-9-carbonyl)amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Traditional Name: 2-[(2-amino-6-benzoxy-purine-9-carbonyl)amino]-5-(tert-butoxycarbonylamino)valeric acid Formula: C23H29N7O6 MolecularWeight: 499.51966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC(C(=O)O)NC(=O)N1C=NC2=C1N=C(N=C2OCC3=CC=CC=C3)N

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC(C(=O)O)NC(=O)N1C=NC2=C1N=C(N=C2OCC3=CC=CC=C3)N

InChI

InChI=1S/C23H29N7O6/c1-23(2,3)36-22(34)25-11-7-10-15(19(31)32)27-21(33)30-13-26-16-17(30)28-20(24)29-18(16)35-12-14-8-5-4-6-9-14/h4-6,8-9,13,15H,7,10-12H2,1-3H3,(H,25,34)(H,27,33)(H,31,32)(H2,24,28,29)