Chem
J-GLOBAL ID：200907005099065321   Nikkaji number：J28.592G

2-(Dimethylamino)-N-[11-hydroxy-3-isopropyl-5,8-dioxo-7-benzyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14(1),15-trien-4-yl]-3-methylpentanamide

2-(ジメチルアミノ)-N-[11-ヒドロキシ-3-イソプロピル-5,8-ジオキソ-7-ベンジル-2-オキサ-6,9-ジアザビシクロ[10.2.2]ヘキサデカ-12,14(1),15-トリエン-4-イル]-3-メチルペンタンアミド
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： C31H44N4O5
Molecular formula furigana： C31-H44-N4-O5
Molecular weight： 552.716
InChI： InChI=1S/C31H44N4O5/c1-7-20(4)27(35(5)6)31(39)34-26-28(19(2)3)40-23-15-13-22(14-16-23)25(36)18-32-29(37)24(33-30(26)38)17-21-11-9-8-10-12-21/h8-16,19-20,24-28,36H,7,17-18H2,1-6H3,(H,32,37)(H,33,38)(H,34,39)
InChI key： STKZKAJIJHJDCQ-UHFFFAOYSA-N
SMILES： CCC(C)C(N(C)C)C(=O)NC1C(Oc2ccc(cc2)C(O)CNC(=O)C(Cc2ccccc2)NC1=O)C(C)C
Systematic name  (3)：
  • 2-(ジメチルアミノ)-N-[11-ヒドロキシ-3-イソプロピル-5,8-ジオキソ-7-ベンジル-2-オキサ-6,9-ジアザビシクロ[10.2.2]ヘキサデカ-12,14(1),15-トリエン-4-イル]-3-メチルペンタンアミド
  • N-[7-ベンジル-11-ヒドロキシ-5,8-ジオキソ-3-(プロパン-2-イル)-2-オキサ-6,9-ジアザビシクロ[10.2.2]ヘキサデカ-1(14),12,15-トリエン-4-イル]-2-(ジメチルアミノ)-3-メチルペンタンアミド
  • N-[7-benzyl-11-hydroxy-5,8-dioxo-3-(propan-2-yl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]-2-(dimethylamino)-3-methylpentanamide
Other name (1)：
  • 2-(Dimethylamino)-N-[11-hydroxy-3-isopropyl-5,8-dioxo-7-benzyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14(1),15-trien-4-yl]-3-methylpentanamide
CAS registry number： 10233-81-5
KEGG COMPOUND： C10012
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