tert-butyl (2S)-3-(6-chloranylpurin-9-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: tert-butyl (2S)-3-(6-chloranylpurin-9-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: tert-butyl (2S)-2-(benzyloxycarbonylamino)-3-(6-chloropurin-9-yl)propanoate CAS Name: (2S)-3-(6-chloro-9-purinyl)-2-(phenylmethoxycarbonylamino)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-3-(6-chloropurin-9-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(6-chloropurin-9-yl)propionic acid tert-butyl ester Formula: C20H22ClN5O4 MolecularWeight: 431.87278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CN1C=NC2=C1N=CN=C2Cl)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CN1C=NC2=C1N=CN=C2Cl)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H22ClN5O4/c1-20(2,3)30-18(27)14(25-19(28)29-10-13-7-5-4-6-8-13)9-26-12-24-15-16(21)22-11-23-17(15)26/h4-8,11-12,14H,9-10H2,1-3H3,(H,25,28)/t14-/m0/s1