Chem
J-GLOBAL ID:200907030512105587   Nikkaji number:J1.983.203A

AK-602

AK-602
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: C33H43N3O6
Molecular formula furigana: C33-H43-N3-O6
Molecular weight: 577.722
InChI: InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28?,29-/m1/s1
InChI key: GWNOTCOIYUNTQP-YPJJGMIRSA-N
SMILES: CCCCN1C(=O)C(NC(=O)C21CCN(Cc1ccc(Oc3ccc(cc3)C(=O)O)cc1)CC2)[C@H](O)C1CCCCC1
Systematic name  (3):
  • 4-[4-[1-ブチル-3,6-ジオキソ-5-[(R)-ヒドロキシ(シクロヘキシル)メチル]スピロ[ピペラジン-2,4′-ピペリジン]-1′-イルメチル]フェノキシ]安息香酸
  • 4-[4-({1-ブチル-3-[(R)-シクロヘキシル(ヒドロキシ)メチル]-2,5-ジオキソ-1,4,9-トリアザスピロ[5.5]ウンデカン-9-イル}メチル)フェノキシ]安息香酸
  • 4-[4-({1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl}methyl)phenoxy]benzoic acid
Other name (4):
  • 4-[4-[1-Butyl-3,6-dioxo-5-[(R)-hydroxy(cyclohexyl)methyl]spiro[piperazine-2,4′-piperidine]-1′-ylmethyl]phenoxy]benzoic acid
  • AK-602
  • ONO-4128
  • GW-873140
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