(2E,4E)-N-[2-[[2-[1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)-6-(5H-purin-6-ylamino)oxan-3-yl]amino]-2-oxidanylidene-ethyl]tetradeca-2,4-dienamide

Systemtic Name: (2E,4E)-N-[2-[[2-[1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)-6-(5H-purin-6-ylamino)oxan-3-yl]amino]-2-oxidanylidene-ethyl]tetradeca-2,4-dienamide Openeye Name: (2E,4E)-N-[2-[[2-(1,2-dihydroxyethyl)-4,5-dihydroxy-6-(5H-purin-6-ylamino)tetrahydropyran-3-yl]amino]-2-oxo-ethyl]tetradeca-2,4-dienamide CAS Name: (2E,4E)-N-[2-[[2-(1,2-dihydroxyethyl)-4,5-dihydroxy-6-(5H-purin-6-ylamino)-3-oxanyl]amino]-2-oxoethyl]tetradeca-2,4-dienamide IUPAC Name: (2E,4E)-N-[2-[[2-(1,2-dihydroxyethyl)-4,5-dihydroxy-6-(5H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]tetradeca-2,4-dienamide Traditional Name: (2E,4E)-N-[2-[[2-(1,2-dihydroxyethyl)-4,5-dihydroxy-6-(5H-purin-6-ylamino)tetrahydropyran-3-yl]amino]-2-keto-ethyl]tetradeca-2,4-dienamide Formula: C28H43N7O7 MolecularWeight: 589.68372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CC=CC(=O)NCC(=O)NC1C(C(C(OC1C(CO)O)NC2=NC=NC3=NC=NC32)O)O

Isomeric SMILES

CCCCCCCCC/C=C/C=C/C(=O)NCC(=O)NC1C(C(C(OC1C(CO)O)NC2=NC=NC3=NC=NC32)O)O

InChI

InChI=1S/C28H43N7O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(38)29-14-20(39)34-21-23(40)24(41)28(42-25(21)18(37)15-36)35-27-22-26(31-16-30-22)32-17-33-27/h10-13,16-18,21-25,28,36-37,40-41H,2-9,14-15H2,1H3,(H,29,38)(H,34,39)(H,30,31,32,33,35)/b11-10+,13-12+