tert-butyl 2-[(2R,4R)-2-(aminomethyl)-4-(6-benzamidopurin-9-yl)pyrrolidin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[(2R,4R)-2-(aminomethyl)-4-(6-benzamidopurin-9-yl)pyrrolidin-1-yl]ethanoate Openeye Name: tert-butyl 2-[(2R,4R)-2-(aminomethyl)-4-(6-benzamidopurin-9-yl)pyrrolidin-1-yl]acetate CAS Name: 2-[(2R,4R)-2-(aminomethyl)-4-(6-benzamido-9-purinyl)-1-pyrrolidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2R,4R)-2-(aminomethyl)-4-(6-benzamidopurin-9-yl)pyrrolidin-1-yl]acetate Traditional Name: 2-[(2R,4R)-2-(aminomethyl)-4-(6-benzamidopurin-9-yl)pyrrolidino]acetic acid tert-butyl ester Formula: C23H29N7O3 MolecularWeight: 451.52146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CC(CC1CN)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)CN1C[C@@H](C[C@@H]1CN)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H29N7O3/c1-23(2,3)33-18(31)12-29-11-17(9-16(29)10-24)30-14-27-19-20(25-13-26-21(19)30)28-22(32)15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12,24H2,1-3H3,(H,25,26,28,32)/t16-,17-/m1/s1