methyl 2-[(3R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxidanylidene-3-[6-(phenylmethoxycarbonylamino)purin-9-yl]pyrrolidin-1-yl]ethanoate

Systemtic Name: methyl 2-[(3R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxidanylidene-3-[6-(phenylmethoxycarbonylamino)purin-9-yl]pyrrolidin-1-yl]ethanoate Openeye Name: methyl 2-[(3R,5S)-3-[6-(benzyloxycarbonylamino)purin-9-yl]-5-[(tert-butoxycarbonylamino)methyl]-2-oxo-pyrrolidin-1-yl]acetate CAS Name: 2-[(3R,5S)-5-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-oxo-3-[6-(phenylmethoxycarbonylamino)-9-purinyl]-1-pyrrolidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(3R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxo-3-[6-(phenylmethoxycarbonylamino)purin-9-yl]pyrrolidin-1-yl]acetate Traditional Name: 2-[(3R,5S)-3-[6-(benzyloxycarbonylamino)purin-9-yl]-5-[(tert-butoxycarbonylamino)methyl]-2-keto-pyrrolidino]acetic acid methyl ester Formula: C26H31N7O7 MolecularWeight: 553.56704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1CC(C(=O)N1CC(=O)OC)N2C=NC3=C2N=CN=C3NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N1CC(=O)OC)N2C=NC3=C2N=CN=C3NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H31N7O7/c1-26(2,3)40-24(36)27-11-17-10-18(23(35)32(17)12-19(34)38-4)33-15-30-20-21(28-14-29-22(20)33)31-25(37)39-13-16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3,(H,27,36)(H,28,29,31,37)/t17-,18+/m0/s1