(phenylmethyl) (2S)-4-(6-aminopurin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: (phenylmethyl) (2S)-4-(6-aminopurin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: benzyl (2S)-4-(6-aminopurin-9-yl)-2-(tert-butoxycarbonylamino)butanoate CAS Name: (2S)-4-(6-aminopurin-9-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-4-(6-aminopurin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: (2S)-4-adenin-9-yl-2-(tert-butoxycarbonylamino)butyric acid benzyl ester Formula: C21H26N6O4 MolecularWeight: 426.46894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCN1C=NC2=C1N=CN=C2N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCN1C=NC2=C1N=CN=C2N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H26N6O4/c1-21(2,3)31-20(29)26-15(19(28)30-11-14-7-5-4-6-8-14)9-10-27-13-25-16-17(22)23-12-24-18(16)27/h4-8,12-13,15H,9-11H2,1-3H3,(H,26,29)(H2,22,23,24)/t15-/m0/s1