2-[[(2R,3S,4R)-3,4-bis(oxidanyl)-5-[6-[[(3R)-oxolan-3-yl]methyl]purin-9-yl]oxolan-2-yl]methoxycarbonylamino]cyclopentane-1-carboxylic acid

Systemtic Name: 2-[[(2R,3S,4R)-3,4-bis(oxidanyl)-5-[6-[[(3R)-oxolan-3-yl]methyl]purin-9-yl]oxolan-2-yl]methoxycarbonylamino]cyclopentane-1-carboxylic acid Openeye Name: 2-[[(2R,3S,4R)-3,4-dihydroxy-5-[6-[[(3R)-tetrahydrofuran-3-yl]methyl]purin-9-yl]tetrahydrofuran-2-yl]methoxycarbonylamino]cyclopentanecarboxylic acid CAS Name: 2-[[[(2R,3S,4R)-3,4-dihydroxy-5-[6-[[(3R)-3-oxolanyl]methyl]-9-purinyl]-2-oxolanyl]methoxy-oxomethyl]amino]-1-cyclopentanecarboxylic acid IUPAC Name: 2-[[(2R,3S,4R)-3,4-dihydroxy-5-[6-[[(3R)-oxolan-3-yl]methyl]purin-9-yl]oxolan-2-yl]methoxycarbonylamino]cyclopentane-1-carboxylic acid Traditional Name: 2-[[(2R,3S,4R)-3,4-dihydroxy-5-[6-[[(3R)-tetrahydrofuran-3-yl]methyl]purin-9-yl]tetrahydrofuran-2-yl]methoxycarbonylamino]cyclopentanecarboxylic acid Formula: C22H29N5O8 MolecularWeight: 491.49436

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)NC(=O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)CC5CCOC5)O)O)C(=O)O

Isomeric SMILES

C1CC(C(C1)NC(=O)OC[C@@H]2[C@H]([C@H](C(O2)N3C=NC4=C(N=CN=C43)C[C@@H]5CCOC5)O)O)C(=O)O

InChI

InChI=1S/C22H29N5O8/c28-17-15(8-34-22(32)26-13-3-1-2-12(13)21(30)31)35-20(18(17)29)27-10-25-16-14(23-9-24-19(16)27)6-11-4-5-33-7-11/h9-13,15,17-18,20,28-29H,1-8H2,(H,26,32)(H,30,31)/t11-,12?,13?,15+,17+,18+,20?/m0/s1