Chem
J-GLOBAL ID：200907075132271321   Nikkaji number：J359.333I

Trapoxin B

トラポキシンB
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： C33H40N4O6
Molecular formula furigana： C33-H40-N4-O6
Molecular weight： 588.705
InChI： InChI=1S/C33H40N4O6/c38-28(29-21-43-29)17-9-3-8-15-24-30(39)35-25(19-22-11-4-1-5-12-22)31(40)36-26(20-23-13-6-2-7-14-23)33(42)37-18-10-16-27(37)32(41)34-24/h1-2,4-7,11-14,24-27,29H,3,8-10,15-21H2,(H,34,41)(H,35,39)(H,36,40)/t24-,25-,26-,27+,29-/m0/s1
InChI key： LLOKIGWPNVSDGJ-AFBVCZJXSA-N
SMILES： O=C(CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H]1CO1
Systematic name  (4)：
  • (3aR,6S,9S,12S)-9,12-ジベンジル-6-[6-オキソ-6-[(S)-オキシラニル]ヘキシル]-1,2,3,3a,8,9-ヘキサヒドロ-5,8,11,13a-テトラアザ-13aH-シクロペンタシクロドデセン-4,7,10,13(5H,6H,11H,12H)-テトラオン
  • シクロ[L-Phe-L-Phe-D-Pro-6-[2-[(S)-オキシラニル]-2-オキソエチル]-L-Nle-]
  • (3S,6S,9S,14aR)-6,9-ジベンジル-3-{6-[(2S)-オキシラン-2-イル]-6-オキソヘキシル}-テトラデカヒドロピロロ[1,2-a]1,4,7,10-テトラアザシクロドデカン-1,4,7,10-テトラオン
  • (3S,6S,9S,14aR)-6,9-dibenzyl-3-{6-[(2S)-oxiran-2-yl]-6-oxohexyl}-tetradecahydropyrrolo[1,2-a]1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrone
Other name (7)：
  • トラポキシンB
  • Trapoxin B
  • (3aR,6S,9S,12S)-9,12-Dibenzyl-6-[6-oxo-6-[(S)-oxiranyl]hexyl]-1,2,3,3a,8,9-hexahydro-5,8,11,13a-tetraaza-13aH-cyclopentacyclododecene-4,7,10,13(5H,6H,11H,12H)-tetrone
  • Cyclo[L-Phe-L-Phe-D-Pro-6-[2-[(S)-oxiranyl]-2-oxoethyl]-L-Nle-]
  • RF-1023B
Show all
CAS registry number： 133155-90-5
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