Chem
J-GLOBAL ID：200907051129709557   Nikkaji number：J2.771.531A

Nummularine F

ヌンムラリンF
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： C23H32N4O4
Molecular formula furigana： C23-H32-N4-O4
Molecular weight： 428.533
InChI： InChI=1S/C23H32N4O4/c1-5-15(2)20-22(29)24-12-10-16-6-8-17(9-7-16)31-18-11-13-27(19(28)14-26(3)4)21(18)23(30)25-20/h6-10,12,15,18,20-21H,5,11,13-14H2,1-4H3,(H,24,29)(H,25,30)/t15-,18-,20-,21-/m0/s1
InChI key： JPEVGZLXTREPOA-HGWQEYRNSA-N
SMILES： CC[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@H](CCN2C(=O)CN(C)C)Oc2ccc(cc2)C=CNC1=O
Systematic name  (3)：
  • (1S,11S,14S)-15-[(ジメチルアミノ)アセチル]-11-[(S)-1-メチルプロピル]-3,6-エテノ-2-オキサ-9,12,15-トリアザビシクロ[12.3.0]ヘプタデカン-3,5,7-トリエン-10,13-ジオン
  • (3S,7S,10S)-10-[(2S)-ブタン-2-イル]-6-[2-(ジメチルアミノ)アセチル]-2-オキサ-6,9,12-トリアザトリシクロ[13.2.2.03,7]ノナデカ-1(17),13,15,18-テトラエン-8,11-ジオン
  • (3S,7S,10S)-10-[(2S)-butan-2-yl]-6-[2-(dimethylamino)acetyl]-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(17),13,15,18-tetraene-8,11-dione
Other name (3)：
  • (1S,11S,14S)-15-[(Dimethylamino)acetyl]-11-[(S)-1-methylpropyl]-3,6-etheno-2-oxa-9,12,15-triazabicyclo[12.3.0]heptadecane-3,5,7-triene-10,13-dione
  • Nummularine F
  • ヌンムラリンF
CAS registry number： 58775-98-7
KEGG COMPOUND： C10011
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