tert-butyl N-[(2S)-1-[[(1S,2S,3R,4R)-4-(6-aminopurin-9-yl)-2,3-bis(oxidanyl)cyclopentyl]amino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[(1S,2S,3R,4R)-4-(6-aminopurin-9-yl)-2,3-bis(oxidanyl)cyclopentyl]amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[[(1S,2S,3R,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxy-cyclopentyl]amino]-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[[(1S,2S,3R,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentyl]amino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[(1S,2S,3R,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentyl]amino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[[(1S,2S,3R,4R)-4-adenin-9-yl-2,3-dihydroxy-cyclopentyl]amino]-2-keto-1-methyl-ethyl]carbamic acid tert-butyl ester Formula: C18H27N7O5 MolecularWeight: 421.45088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC(C(C1O)O)N2C=NC3=C2N=CN=C3N)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)N[C@H]1C[C@H]([C@H]([C@H]1O)O)N2C=NC3=C2N=CN=C3N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H27N7O5/c1-8(23-17(29)30-18(2,3)4)16(28)24-9-5-10(13(27)12(9)26)25-7-22-11-14(19)20-6-21-15(11)25/h6-10,12-13,26-27H,5H2,1-4H3,(H,23,29)(H,24,28)(H2,19,20,21)/t8-,9-,10+,12-,13+/m0/s1