tert-butyl 2-[(2S)-4-(6-benzamidopurin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethanoate

Systemtic Name: tert-butyl 2-[(2S)-4-(6-benzamidopurin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethanoate Openeye Name: tert-butyl 2-[(2S)-4-(6-benzamidopurin-9-yl)-2-(tert-butoxycarbonylamino)butoxy]acetate CAS Name: 2-[(2S)-4-(6-benzamido-9-purinyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2S)-4-(6-benzamidopurin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]acetate Traditional Name: 2-[(2S)-4-(6-benzamidopurin-9-yl)-2-(tert-butoxycarbonylamino)butoxy]acetic acid tert-butyl ester Formula: C27H36N6O6 MolecularWeight: 540.61134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COCC(CCN1C=NC2=C1N=CN=C2NC(=O)C3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)COC[C@H](CCN1C=NC2=C1N=CN=C2NC(=O)C3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H36N6O6/c1-26(2,3)38-20(34)15-37-14-19(31-25(36)39-27(4,5)6)12-13-33-17-30-21-22(28-16-29-23(21)33)32-24(35)18-10-8-7-9-11-18/h7-11,16-17,19H,12-15H2,1-6H3,(H,31,36)(H,28,29,32,35)/t19-/m0/s1