Chem
J-GLOBAL ID:200907051144208750   Nikkaji number:J1.266.905D

(R)-4-[[(2,5-Dioxoimidazolidin-4-yl)acetyl]amino]-5-oxo-5-[[(1S,2R)-1-phenyl-2-(propanoyloxy)-3-oxo-3-[[1-hydroxy-2α-(benzoyloxy)-4,10β-diacetoxy-7β-(propanoyloxy)-9-oxo-5β,20-epoxytax-11-en-13α-yl]oxy]propyl]amino]pentanoic acid

(R)-4-[[(2,5-ジオキソイミダゾリジン-4-イル)アセチル]アミノ]-5-オキソ-5-[[(1S,2R)-1-フェニル-2-(プロパノイルオキシ)-3-オキソ-3-[[1-ヒドロキシ-2α-(ベンゾイルオキシ)-4,10β-ジアセトキシ-7β-(プロパノイルオキシ)-9-オキソ-5β,20-エポキシタキサ-11-エン-13α-イル]オキシ]プロピル]アミノ]ペンタン酸
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: C56H66N4O21
Molecular formula furigana: C56-H66-N4-O21
Molecular weight: 1131.151
InChI: InChI=1S/C56H66N4O21/c1-9-39(66)78-35-24-36-55(26-75-36,81-29(5)62)45-47(80-50(71)31-19-15-12-16-20-31)56(74)25-34(27(3)41(53(56,6)7)43(76-28(4)61)46(68)54(35,45)8)77-51(72)44(79-40(67)10-2)42(30-17-13-11-14-18-30)59-48(69)32(21-22-38(64)65)57-37(63)23-33-49(70)60-52(73)58-33/h11-20,32-36,42-45,47,74H,9-10,21-26H2,1-8H3,(H,57,63)(H,59,69)(H,64,65)(H2,58,60,70,73)/t32-,33?,34+,35+,36-,42+,43-,44-,45+,47+,54-,55+,56-/m1/s1
InChI key: WLLNBNDMKMJJMX-WEVOMBMWSA-N
SMILES: CCC(=O)O[C@H]([C@@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)CC1NC(=O)NC1=O)c1ccccc1)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](OC(=O)CC)[C@@]3(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C
Systematic name  (3):
  • (R)-4-[[(2,5-ジオキソイミダゾリジン-4-イル)アセチル]アミノ]-5-オキソ-5-[[(1S,2R)-1-フェニル-2-(プロパノイルオキシ)-3-オキソ-3-[[1-ヒドロキシ-2α-(ベンゾイルオキシ)-4,10β-ジアセトキシ-7β-(プロパノイルオキシ)-9-オキソ-5β,20-エポキシタキサ-11-エン-13α-イル]オキシ]プロピル]アミノ]ペンタン酸
  • (4R)-4-{[(1S,2R)-3-{[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-ビス(アセチルオキシ)-2-(ベンゾイルオキシ)-1-ヒドロキシ-10,14,17,17-テトラメチル-11-オキソ-9-(プロパノイルオキシ)-6-オキサテトラシクロ[11.3.1.03,10.04,7]ヘプタデカ-13-エン-15-イル]オキシ}-3-オキソ-1-フェニル-2-(プロパノイルオキシ)プロピル]カルバモイル}-4-[2-(2,5-ジオキソイミダゾリジン-4-イル)アセトアミド]ブタン酸
  • (4R)-4-{[(1S,2R)-3-{[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-2-(benzoyloxy)-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9-(propanoyloxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy}-3-oxo-1-phenyl-2-(propanoyloxy)propyl]carbamoyl}-4-[2-(2,5-dioxoimidazolidin-4-yl)acetamido]butanoic acid
Other name (1):
  • (R)-4-[[(2,5-Dioxoimidazolidin-4-yl)acetyl]amino]-5-oxo-5-[[(1S,2R)-1-phenyl-2-(propanoyloxy)-3-oxo-3-[[1-hydroxy-2α-(benzoyloxy)-4,10β-diacetoxy-7β-(propanoyloxy)-9-oxo-5β,20-epoxytax-11-en-13α-yl]oxy]propyl]amino]pentanoic acid
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