methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[6-(phenylmethoxycarbonylamino)purin-9-yl]butanoate

Systemtic Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[6-(phenylmethoxycarbonylamino)purin-9-yl]butanoate Openeye Name: methyl (2S)-4-[6-(benzyloxycarbonylamino)purin-9-yl]-2-(tert-butoxycarbonylamino)butanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-[6-(phenylmethoxycarbonylamino)-9-purinyl]butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[6-(phenylmethoxycarbonylamino)purin-9-yl]butanoate Traditional Name: (2S)-4-[6-(benzyloxycarbonylamino)purin-9-yl]-2-(tert-butoxycarbonylamino)butyric acid methyl ester Formula: C23H28N6O6 MolecularWeight: 484.50502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCN1C=NC2=C1N=CN=C2NC(=O)OCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCN1C=NC2=C1N=CN=C2NC(=O)OCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H28N6O6/c1-23(2,3)35-22(32)27-16(20(30)33-4)10-11-29-14-26-17-18(24-13-25-19(17)29)28-21(31)34-12-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3,(H,27,32)(H,24,25,28,31)/t16-/m0/s1