Chem
J-GLOBAL ID：200907080745311877   Nikkaji number：J1.654.154K

Phepropeptin A

フェプロペプチン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： C37H58N6O6
Molecular formula furigana： C37-H58-N6-O6
Molecular weight： 682.907
InChI： InChI=1S/C37H58N6O6/c1-21(2)17-26-32(44)38-28(19-23(5)6)34(46)42-31(24(7)8)36(48)40-27(18-22(3)4)33(45)41-29(20-25-13-10-9-11-14-25)37(49)43-16-12-15-30(43)35(47)39-26/h9-11,13-14,21-24,26-31H,12,15-20H2,1-8H3,(H,38,44)(H,39,47)(H,40,48)(H,41,45)(H,42,46)/t26-,27-,28+,29+,30-,31-/m0/s1
InChI key： QVOWLQGIVUTHGK-ZAFXZDQFSA-N
SMILES： CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC1=O)C(C)C
Systematic name  (3)：
  • シクロ(L-Leu-D-Phe-L-Pro-L-Leu-D-Leu-L-Val-)
  • (3S,6R,9S,12S,15R,20aS)-15-ベンジル-3,6,12-トリス(2-メチルプロピル)-9-(プロパン-2-イル)-イコサヒドロピロロ[1,2-a]1,4,7,10,13,16-ヘキサアザシクロオクタデカン-1,4,7,10,13,16-ヘキサオン
  • (3S,6R,9S,12S,15R,20aS)-15-benzyl-3,6,12-tris(2-methylpropyl)-9-(propan-2-yl)-icosahydropyrrolo[1,2-a]1,4,7,10,13,16-hexaazacyclooctadecane-1,4,7,10,13,16-hexone
Other name (3)：
  • Cyclo(L-Leu-D-Phe-L-Pro-L-Leu-D-Leu-L-Val-)
  • フェプロペプチンA
  • Phepropeptin A
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