Chem
J-GLOBAL ID：200907014082428900   Nikkaji number：J772.362H

Batzelladine A

バツェラジン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： C42H73N9O4
Molecular formula furigana： C42-H73-N9-O4
Molecular weight： 768.105
InChI： InChI=1S/C42H73N9O4/c1-3-4-5-6-8-11-14-20-31-29-32-23-24-35-36(30(2)47-42(48-31)51(32)35)38(52)54-27-17-13-10-7-9-12-15-21-33-37(34-22-19-26-50(34)41(45)49-33)39(53)55-28-18-16-25-46-40(43)44/h30-33,35-36H,3-29H2,1-2H3,(H2,45,49)(H,47,48)(H4,43,44,46)/t30-,31+,32-,33?,35+,36+/m1/s1
InChI key： WZGMBJKFYVONHF-FRBVQMBWSA-N
SMILES： CCCCCCCCC[C@H]1C[C@H]2CC[C@H]3[C@H]([C@@H](C)N=C(N1)N23)C(=O)OCCCCCCCCCC1N=C(N)N2CCCC2=C1C(=O)OCCCCNC(=N)N
Systematic name  (3)：
  • 4β-メチル-7β-ノニル-2,2aα,3,4,6,7,8,8aα-オクタヒドロ-1H-5,6,8b-トリアザアセナフチレン-3β-カルボン酸9-[[1-アミノ-4-(4-グアニジノブトキシカルボニル)-3,5,6,7-テトラヒドロピロロ[1,2-c]ピリミジン]-3-イル]ノニル
  • 9-{1-アミノ-4-[(4-カルバムイミドアミドブトキシ)カルボニル]-3H,5H,6H,7H-ピロロ[1,2-c]ピリミジン-3-イル}ノニル (1R,4S,5S,6R,10S)-6-メチル-10-ノニル-7,9,12-トリアザトリシクロ[6.3.1.04,12]ドデカ-7-エン-5-カルボキシラート
  • 9-{1-amino-4-[(4-carbamimidamidobutoxy)carbonyl]-3H,5H,6H,7H-pyrrolo[1,2-c]pyrimidin-3-yl}nonyl (1R,4S,5S,6R,10S)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene-5-carboxylate
Other name (4)：
  • バツェラジンA
  • バトゼラジンA
  • Batzelladine A
  • 4β-Methyl-7β-nonyl-2,2aα,3,4,6,7,8,8aα-octahydro-1H-5,6,8b-triazaacenaphthylene-3β-carboxylic acid 9-[[1-amino-4-(4-guanidinobutoxycarbonyl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin]-3-yl]nonyl ester
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM