Chem
J-GLOBAL ID：200907023221297008   Nikkaji number：J1.654.155I

Phepropeptin B

フェプロペプチン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： C40H56N6O6
Molecular formula furigana： C40-H56-N6-O6
Molecular weight： 716.924
InChI： InChI=1S/C40H56N6O6/c1-24(2)20-29-35(47)44-32(23-28-16-11-8-12-17-28)40(52)46-19-13-18-33(46)38(50)42-31(22-27-14-9-7-10-15-27)36(48)41-30(21-25(3)4)37(49)45-34(26(5)6)39(51)43-29/h7-12,14-17,24-26,29-34H,13,18-23H2,1-6H3,(H,41,48)(H,42,50)(H,43,51)(H,44,47)(H,45,49)/t29-,30+,31-,32+,33-,34-/m0/s1
InChI key： WPYOCTODIOSRQG-WOXDTIJASA-N
SMILES： CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC1=O)C(C)C
Systematic name  (3)：
  • シクロ(L-Leu-D-Phe-L-Pro-L-Phe-D-Leu-L-Val-)
  • (3S,6R,9S,12S,15R,20aS)-3,15-ジベンジル-6,12-ビス(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)-3,15-dibenzyl-6,12-bis(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-Phe-D-Leu-L-Val-)
  • フェプロペプチンB
  • Phepropeptin B
Thsaurus map：
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