tert-butyl 3-[6-[4-(aminomethyl)piperidin-1-yl]purin-9-yl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: tert-butyl 3-[6-[4-(aminomethyl)piperidin-1-yl]purin-9-yl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: tert-butyl 3-[6-[4-(aminomethyl)-1-piperidyl]purin-9-yl]-2-(benzyloxycarbonylamino)propanoate CAS Name: 3-[6-[4-(aminomethyl)-1-piperidinyl]-9-purinyl]-2-(phenylmethoxycarbonylamino)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[6-[4-(aminomethyl)piperidin-1-yl]purin-9-yl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-[6-[4-(aminomethyl)piperidino]purin-9-yl]-2-(benzyloxycarbonylamino)propionic acid tert-butyl ester Formula: C26H35N7O4 MolecularWeight: 509.6006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CN1C=NC2=C1N=CN=C2N3CCC(CC3)CN)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)C(CN1C=NC2=C1N=CN=C2N3CCC(CC3)CN)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H35N7O4/c1-26(2,3)37-24(34)20(31-25(35)36-15-19-7-5-4-6-8-19)14-33-17-30-21-22(28-16-29-23(21)33)32-11-9-18(13-27)10-12-32/h4-8,16-18,20H,9-15,27H2,1-3H3,(H,31,35)