CAS: 117527-59-0 - Glycine, (1R,2S)-2-(benzoylamino)-1-[[[(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl]oxy]carbonyl]-2-phenylethyl ester

Formula:C₄₉H₅₄N₂O₁₅

InChI:InChI=1S/C49H54N2O15/c1-26-32(63-45(59)39(64-35(55)24-50)37(29-16-10-7-11-17-29)51-43(57)30-18-12-8-13-19-30)23-49(60)42(65-44(58)31-20-14-9-15-21-31)40-47(6,33(54)22-34-48(40,25-61-34)66-28(3)53)41(56)38(62-27(2)52)36(26)46(49,4)5/h7-21,32-34,37-40,42,54,60H,22-25,50H2,1-6H3,(H,51,57)/t32-,33-,34+,37-,38+,39+,40-,42-,47+,48-,49+/m0/s1

InChI key:InChIKey=YNCVQHFZZJFFTH-DDQCEMGUSA-N

SMILES:O=C(OC1C2C3(OC(=O)C)COC3CC(O)C2(C(=O)C(OC(=O)C)C4=C(C)C(OC(=O)C(OC(=O)CN)C(NC(=O)C=5C=CC=CC5)C=6C=CC=CC6)CC1(O)C4(C)C)C)C=7C=CC=CC7

Sinonimi:
2′-Paclitaxel glycinate
Glycine, (1R,2S)-2-(benzoylamino)-1-[[[(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl]oxy]carbonyl]-2-phenylethyl ester
Glycine, 2-(benzoylamino)-1-[[[6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl]oxy]carbonyl]-2-phenylethyl ester, [2R-[2α,4β,4aβ,6β,9α(1R*,2S*),11α,12α,12aα,12bα]]-
2′-O-Glycyl-paclitaxel
7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, glycine deriv.