Chem
J-GLOBAL ID:200907049121210583   Nikkaji number:J17.141G

Demethyldestruxin B

デメチルデストルキシンB
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: C29H49N5O7
Molecular formula furigana: C29-H49-N5-O7
Molecular weight: 579.739
InChI: InChI=1S/C29H49N5O7/c1-9-18(6)24-27(38)31-23(17(4)5)29(40)33(8)19(7)25(36)30-13-12-22(35)41-21(15-16(2)3)28(39)34-14-10-11-20(34)26(37)32-24/h16-21,23-24H,9-15H2,1-8H3,(H,30,36)(H,31,38)(H,32,37)/t18-,19-,20-,21+,23?,24-/m0/s1
InChI key: LKJMCPAAJZITNV-FMYMBBELSA-N
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)C(NC1=O)C(C)C
Systematic name  (6):
  • 3-イソプロピルシクロ[D-Lac-L-Pro-L-Ile-L-Val-N-メチル-L-Ala-βAla-]
  • 3-イソプロピル-シクロ(D-Lac-L-Pro-L-Ile-L-Val-N-メチル-L-Ala-βAla-)
  • N-[N-[(R)-2-ヒドロキシ-4-メチル-1-オキソペンチル]-L-Pro-L-Ile-L-Val-N-メチル-L-Ala-]-β-アラニンラクトン
  • N-[N-[(2R)-1-オキソ-2-ヒドロキシ-4-メチルペンチル]-L-Pro-L-Ile-L-Val-N-メチル-L-Ala-]-β-アラニンラクトン
  • (3S,6S,9S,16R,21aS)-3-[(2S)-ブタン-2-イル]-8,9-ジメチル-16-(2-メチルプロピル)-6-(プロパン-2-イル)-イコサヒドロピロロ[1,2-d]1-オキサ-4,7,10,13,16-ペンタアザシクロノナデカン-1,4,7,10,14,17-ヘキサオン
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Other name (9):
  • デメチルデストルキシンB
  • Demethyldestruxin B
  • 3-Isopropyl-cyclo(D-Lac-L-Pro-L-Ile-L-Val-N-methyl-L-Ala-βAla-)
  • デスメチルデストルキシンB
  • Desmethyldestruxin B
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CAS registry number: 27482-48-0
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