Chem
J-GLOBAL ID：200907067575322600   Nikkaji number：J1.185.586E

6-O-[4-O-α-D-Mannopyranosyl-2-(tert-butoxycarbonylamino)-6-(2-nitro-5-azidobenzoylamino)-2,6-dideoxy-α-D-glucopyranosyl]-1-O-(1-O,2-O-dihexadecanoyl-L-glycero-3-phospho)-2-O,3-O:4-O,5-O-dicyclohexylidene-D-myo-inositol

6-O-[4-O-α-D-マンノピラノシル-2-(tert-ブトキシカルボニルアミノ)-6-(2-ニトロ-5-アジドベンゾイルアミノ)-2,6-ジデオキシ-α-D-グルコピラノシル]-1-O-(1-O,2-O-ジヘキサデカノイル-L-グリセロ-3-ホスホ)-2-O,3-O:4-O,5-O-ジシクロヘキシリデン-D-myo-イノシトール
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C77H127N3[N-][N+]2O25[O-]P
Molecular formula furigana： C77-H127-N6-O26-P
Molecular weight： 1583.853
InChI： InChI=1S/C77H127N6O26P/c1-6-8-10-12-14-16-18-20-22-24-26-28-32-38-57(85)97-49-52(99-58(86)39-33-29-27-25-23-21-19-17-15-13-11-9-7-2)50-98-110(95,96)109-70-65(66-67(105-76(104-66)42-34-30-35-43-76)68-69(70)107-77(106-68)44-36-31-37-45-77)103-72-59(80-74(92)108-75(3,4)5)61(88)64(102-73-63(90)62(89)60(87)56(48-84)101-73)55(100-72)47-79-71(91)53-46-51(81-82-78)40-41-54(53)83(93)94/h40-41,46,52,55-56,59-70,72-73,84,87-90H,6-39,42-45,47-50H2,1-5H3,(H,79,91)(H,80,92)(H,95,96)/t52-,55-,56-,59-,60-,61-,62+,63+,64-,65-,66-,67+,68-,69-,70+,72-,73-/m1/s1
InChI key： GGXSMGFJTKZXGK-OYYITQMJSA-N
SMILES： CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]1O[C@H]1O[C@H](CNC(=O)c2cc(ccc2[N+](=O)[O-])N=[N+]=[N-])[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1NC(=O)OC(C)(C)C)OC(=O)CCCCCCCCCCCCCCC
Systematic name  (3)：
  • 6-O-[4-O-α-D-マンノピラノシル-2-(tert-ブトキシカルボニルアミノ)-6-(2-ニトロ-5-アジドベンゾイルアミノ)-2,6-ジデオキシ-α-D-グルコピラノシル]-1-O-(1-O,2-O-ジヘキサデカノイル-L-グリセロ-3-ホスホ)-2-O,3-O:4-O,5-O-ジシクロヘキシリデン-D-myo-イノシトール
  • [(1'S,2'R,6'R,7'S,8'R,9'R)-8'-{[(2R,3R,4R,5S,6R)-6-{[(5-アジド-2-ニトロフェニル)ホルムアミド]メチル}-3-{[(tert-ブトキシ)カルボニル]アミノ}-4-ヒドロキシ-5-{[(2R,3S,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}オキサン-2-イル]オキシ}ジスピロ[シクロヘキサン-1,4'-[3,5,10,12]テトラオキサトリシクロ[7.3.0.02,6]ドデカン-11',1''-シクロヘキサン]-7'-イルオキシ][(2R)-2,3-ビス(ヘキサデカノイルオキシ)プロポキシ]ホスフィン酸
  • [(1'S,2'R,6'R,7'S,8'R,9'R)-8'-{[(2R,3R,4R,5S,6R)-6-{[(5-azido-2-nitrophenyl)formamido]methyl}-3-{[(tert-butoxy)carbonyl]amino}-4-hydroxy-5-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}dispiro[cyclohexane-1,4'-[3,5,10,12]tetraoxatricyclo[7.3.0.02,6]dodecane-11',1''-cyclohexan]-7'-yloxy][(2R)-2,3-bis(hexadecanoyloxy)propoxy]phosphinic acid
Other name (1)：
  • 6-O-[4-O-α-D-Mannopyranosyl-2-(tert-butoxycarbonylamino)-6-(2-nitro-5-azidobenzoylamino)-2,6-dideoxy-α-D-glucopyranosyl]-1-O-(1-O,2-O-dihexadecanoyl-L-glycero-3-phospho)-2-O,3-O:4-O,5-O-dicyclohexylidene-D-myo-inositol
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM