Chem
J-GLOBAL ID：200907084787533190   Nikkaji number：J1.292.241H

Sereulide

セレウリド
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： C63H108N6O18
Molecular formula furigana： C63-H108-N6-O18
Molecular weight： 1237.581
InChI： InChI=1S/C63H108N6O18/c1-31(2)28-58(22)52(76)64-40(19)46(70)85-62(26,38(15)16)56(80)68-44(35(9)10)50(74)83-60(24,30-33(5)6)54(78)66-42(21)48(72)87-63(27,39(17)18)57(81)69-45(36(11)12)51(75)84-59(23,29-32(3)4)53(77)65-41(20)47(71)86-61(25,37(13)14)55(79)67-43(34(7)8)49(73)82-58/h31-45H,28-30H2,1-27H3,(H,64,76)(H,65,77)(H,66,78)(H,67,79)(H,68,80)(H,69,81)/t40-,41-,42-,43+,44+,45+,58+,59+,60+,61-,62-,63-/m1/s1
InChI key： IQNNRWCMDOQSSS-FRUFWWBMSA-N
SMILES： CC(C)C[C@]1(C)OC(=O)[C@@H](NC(=O)[C@](C)(OC(=O)[C@@H](C)NC(=O)[C@](C)(CC(C)C)OC(=O)[C@@H](NC(=O)[C@](C)(OC(=O)[C@@H](C)NC(=O)[C@](C)(CC(C)C)OC(=O)[C@@H](NC(=O)[C@](C)(OC(=O)[C@@H](C)NC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C
Systematic name  (3)：
  • シクロ(L-Val-2-イソブチル-D-Lac-D-Ala-2-イソプロピル-L-Lac-L-Val-2-イソブチル-D-Lac-D-Ala-2-イソプロピル-L-Lac-L-Val-2-イソブチル-D-Lac-D-Ala-2-イソプロピル-L-Lac-)
  • (3R,6S,9S,12R,15R,18S,21S,24R,27R,30S,33S,36R)-3,6,12,15,18,24,27,30,36-ノナメチル-6,18,30-トリス(2-メチルプロピル)-9,12,21,24,33,36-ヘキサキス(プロパン-2-イル)-1,7,13,19,25,31-ヘキサオキサ-4,10,16,22,28,34-ヘキサアザシクロヘキサトリアコンタン-2,5,8,11,14,17,20,23,26,29,32,35-ドデカオン
  • (3R,6S,9S,12R,15R,18S,21S,24R,27R,30S,33S,36R)-3,6,12,15,18,24,27,30,36-nonamethyl-6,18,30-tris(2-methylpropyl)-9,12,21,24,33,36-hexakis(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
Other name (3)：
  • Cyclo(L-Val-2-isobutyl-D-Lac-D-Ala-2-isopropyl-L-Lac-L-Val-2-isobutyl-D-Lac-D-Ala-2-isopropyl-L-Lac-L-Val-2-isobutyl-D-Lac-D-Ala-2-isopropyl-L-Lac-)
  • セレウリド
  • Sereulide
Thsaurus map：
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