Chem
J-GLOBAL ID：200907012739578963   Nikkaji number：J1.033.276A

Dianthin B【peptide】

ジアンチンB【ペプチド】
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： C36H46N6O6
Molecular formula furigana： C36-H46-N6-O6
Molecular weight： 658.800
InChI： InChI=1S/C36H46N6O6/c1-3-23(2)31-35(47)38-26(20-24-12-6-4-7-13-24)32(44)39-27(21-25-14-8-5-9-15-25)36(48)42-19-11-16-28(42)33(45)37-22-30(43)41-18-10-17-29(41)34(46)40-31/h4-9,12-15,23,26-29,31H,3,10-11,16-22H2,1-2H3,(H,37,45)(H,38,47)(H,39,44)(H,40,46)/t23-,26-,27-,28-,29-,31-/m0/s1
InChI key： BGIIBDKAZHSXJX-PAGGWMLNSA-N
SMILES： CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O
Systematic name  (3)：
  • シクロ(L-Ile-L-Phe-L-Phe-L-Pro-Gly-L-Pro-)
  • (6S,12S,15S,18S,21S)-12,15-ジベンジル-18-[(2S)-ブタン-2-イル]-1,4,10,13,16,19-ヘキサアザトリシクロ[19.3.0.06,10]テトラコサン-2,5,11,14,17,20-ヘキサオン
  • (6S,12S,15S,18S,21S)-12,15-dibenzyl-18-[(2S)-butan-2-yl]-1,4,10,13,16,19-hexaazatricyclo[19.3.0.06,10]tetracosane-2,5,11,14,17,20-hexone
Other name (3)：
  • Cyclo(L-Ile-L-Phe-L-Phe-L-Pro-Gly-L-Pro-)
  • ジアンチンB【ペプチド】
  • Dianthin B【peptide】
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