Chem
J-GLOBAL ID：200907040626070274   Nikkaji number：J2.771.477C

Crenatine A

クレナチンA
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： C34H40N4O4
Molecular formula furigana： C34-H40-N4-O4
Molecular weight： 568.718
InChI： InChI=1S/C34H40N4O4/c1-23(2)21-29(38(3)4)33(40)37-30-31(26-13-9-6-10-14-26)42-27-17-15-24(16-18-27)19-20-35-32(39)28(36-34(30)41)22-25-11-7-5-8-12-25/h5-20,23,28-31H,21-22H2,1-4H3,(H,35,39)(H,36,41)(H,37,40)
InChI key： NAMLDTWANUOXLT-UHFFFAOYSA-N
SMILES： CC(C)CC(N(C)C)C(=O)NC1C(Oc2ccc(cc2)C=CNC(=O)C(Cc2ccccc2)NC1=O)c1ccccc1
Systematic name  (3)：
  • 2-(ジメチルアミノ)-N-[5,8-ジオキソ-3-フェニル-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-1(14),10,12,15-テトラエン-4-イル]-4-メチルペンタンアミド
  • N-{7-ベンジル-5,8-ジオキソ-3-フェニル-2-オキサ-6,9-ジアザビシクロ[10.2.2]ヘキサデカ-1(14),10,12,15-テトラエン-4-イル}-2-(ジメチルアミノ)-4-メチルペンタンアミド
  • N-{7-benzyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl}-2-(dimethylamino)-4-methylpentanamide
Other name (3)：
  • 2-(Dimethylamino)-N-[5,8-dioxo-3-phenyl-7-benzyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraene-4-yl]-4-methylpentanamide
  • Crenatine A
  • クレナチンA
CAS registry number： 52801-20-4
KEGG COMPOUND： C10002
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