(E)-13,13-dimethyl-N-[2-[[2-methyl-4,5-bis(oxidanyl)-6-(5H-purin-6-ylamino)oxan-3-yl]amino]-2-oxidanylidene-ethyl]tetradec-11-enamide

Systemtic Name: (E)-13,13-dimethyl-N-[2-[[2-methyl-4,5-bis(oxidanyl)-6-(5H-purin-6-ylamino)oxan-3-yl]amino]-2-oxidanylidene-ethyl]tetradec-11-enamide Openeye Name: (E)-N-[2-[[4,5-dihydroxy-2-methyl-6-(5H-purin-6-ylamino)tetrahydropyran-3-yl]amino]-2-oxo-ethyl]-13,13-dimethyl-tetradec-11-enamide CAS Name: (E)-N-[2-[[4,5-dihydroxy-2-methyl-6-(5H-purin-6-ylamino)-3-oxanyl]amino]-2-oxoethyl]-13,13-dimethyl-11-tetradecenamide IUPAC Name: (E)-N-[2-[[4,5-dihydroxy-2-methyl-6-(5H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]-13,13-dimethyltetradec-11-enamide Traditional Name: (E)-N-[2-[[4,5-dihydroxy-2-methyl-6-(5H-purin-6-ylamino)tetrahydropyran-3-yl]amino]-2-keto-ethyl]-13,13-dimethyl-tetradec-11-enamide Formula: C29H47N7O5 MolecularWeight: 573.72738

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)NC2=NC=NC3=NC=NC32)O)O)NC(=O)CNC(=O)CCCCCCCCCC=CC(C)(C)C

Isomeric SMILES

CC1C(C(C(C(O1)NC2=NC=NC3=NC=NC32)O)O)NC(=O)CNC(=O)CCCCCCCCC/C=C/C(C)(C)C

InChI

InChI=1S/C29H47N7O5/c1-19-22(24(39)25(40)28(41-19)36-27-23-26(32-17-31-23)33-18-34-27)35-21(38)16-30-20(37)14-12-10-8-6-5-7-9-11-13-15-29(2,3)4/h13,15,17-19,22-25,28,39-40H,5-12,14,16H2,1-4H3,(H,30,37)(H,35,38)(H,31,32,33,34,36)/b15-13+