Chem
J-GLOBAL ID：200907080160086410   Nikkaji number：J775.027G

XK-216

XK-216
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： C25H30N2O3
Molecular formula furigana： C25-H30-N2-O3
Molecular weight： 406.526
InChI： InChI=1S/C25H30N2O3/c1-3-15-26-21(17-19-11-7-5-8-12-19)23(28)24(29)22(27(16-4-2)25(26)30)18-20-13-9-6-10-14-20/h3-14,21-24,28-29H,1-2,15-18H2/t21-,22-,23+,24+/m1/s1
InChI key： IWJSQELMWLOYSO-LWSSLDFYSA-N
SMILES： O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC=C)C(=O)N(CC=C)[C@@H]1Cc1ccccc1
Systematic name  (4)：
  • 4α,7β-ジベンジル-5α,6β-ジヒドロキシ-1,3-ジアリルヘキサヒドロ-2H-1,3-ジアゼピン-2-オン
  • (4R)-1,3-ジアリル-4α,7β-ジベンジル-5α,6β-ジヒドロキシヘキサヒドロ-2H-1,3-ジアゼピン-2-オン
  • (4R,5S,6S,7R)-4,7-ジベンジル-5,6-ジヒドロキシ-1,3-ビス(プロパ-2-エン-1-イル)-1,3-ジアゼパン-2-オン
  • (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(prop-2-en-1-yl)-1,3-diazepan-2-one
Other name (3)：
  • 4α,7β-Dibenzyl-5α,6β-dihydroxy-1,3-diallylhexahydro-2H-1,3-diazepin-2-one
  • XK-216
  • (4R)-1,3-Diallyl-4α,7β-dibenzyl-5α,6β-dihydroxyhexahydro-2H-1,3-diazepine-2-one
Thsaurus map：
Thesaurus Map

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