N'-[(1S,2R,3S)-4-[6-(2,2-diphenylethylamino)-2-(2-piperidin-1-ylethylamino)purin-9-yl]-2,3-bis(oxidanyl)cyclopentyl]-N-(2-piperidin-1-ylethyl)ethanediamide

Systemtic Name: N'-[(1S,2R,3S)-4-[6-(2,2-diphenylethylamino)-2-(2-piperidin-1-ylethylamino)purin-9-yl]-2,3-bis(oxidanyl)cyclopentyl]-N-(2-piperidin-1-ylethyl)ethanediamide Openeye Name: N'-[(1S,2R,3S)-4-[6-(2,2-diphenylethylamino)-2-[2-(1-piperidyl)ethylamino]purin-9-yl]-2,3-dihydroxy-cyclopentyl]-N-[2-(1-piperidyl)ethyl]oxamide CAS Name: N'-[(1S,2R,3S)-4-[6-(2,2-diphenylethylamino)-2-[2-(1-piperidinyl)ethylamino]-9-purinyl]-2,3-dihydroxycyclopentyl]-N-[2-(1-piperidinyl)ethyl]oxamide IUPAC Name: N'-[(1S,2R,3S)-4-[6-(2,2-diphenylethylamino)-2-(2-piperidin-1-ylethylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]-N-(2-piperidin-1-ylethyl)oxamide Traditional Name: N'-[(1S,2R,3S)-4-[6-(2,2-diphenylethylamino)-2-(2-piperidinoethylamino)purin-9-yl]-2,3-dihydroxy-cyclopentyl]-N-(2-piperidinoethyl)oxamide Formula: C40H54N10O4 MolecularWeight: 738.92136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=NC3=C(C(=N2)NCC(C4=CC=CC=C4)C5=CC=CC=C5)N=CN3C6CC(C(C6O)O)NC(=O)C(=O)NCCN7CCCCC7

Isomeric SMILES

C1CCN(CC1)CCNC2=NC3=C(C(=N2)NCC(C4=CC=CC=C4)C5=CC=CC=C5)N=CN3C6C[C@@H]([C@H]([C@H]6O)O)NC(=O)C(=O)NCCN7CCCCC7

InChI

InChI=1S/C40H54N10O4/c51-34-31(45-39(54)38(53)41-17-23-48-19-9-3-10-20-48)25-32(35(34)52)50-27-44-33-36(46-40(47-37(33)50)42-18-24-49-21-11-4-12-22-49)43-26-30(28-13-5-1-6-14-28)29-15-7-2-8-16-29/h1-2,5-8,13-16,27,30-32,34-35,51-52H,3-4,9-12,17-26H2,(H,41,53)(H,45,54)(H2,42,43,46,47)/t31-,32?,34+,35-/m0/s1