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

Description:The chemical substance known as 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, with CAS number 117527-59-0, is a complex organic compound characterized by its intricate structure that includes multiple functional groups such as amides, esters, and hydroxyls. This compound features a glycine moiety, which is the simplest amino acid, linked to a phenylethyl ester, indicating potential biological activity. The presence of multiple aromatic rings and acetyloxy groups suggests that it may exhibit significant hydrophobic properties, influencing its solubility and interaction with biological membranes. Additionally, the stereochemistry indicated by the (1R,2S) and (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS) descriptors implies that the compound may have specific spatial arrangements that could affect its reactivity and biological function. Overall, this compound's complexity suggests potential applications in pharmaceuticals or biochemistry, warranting further investigation into its properties and effects.

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

Synonyms:
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.