Chem
J-GLOBAL ID：200907062773462017   Nikkaji number：J1.374.541B

Waiakeamide

ワイアケアミド
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： C37H49N7O8S3
Molecular formula furigana： C37-H49-N7-O8-S3
Molecular weight： 816.020
InChI： InChI=1S/C37H49N7O8S3/c1-54(51)19-14-24-35(48)42-16-6-11-28(42)32(46)39-25(15-20-55(2)52)36(49)44-18-8-13-30(44)37(50)43-17-7-12-29(43)33(47)40-26(21-23-9-4-3-5-10-23)34-41-27(22-53-34)31(45)38-24/h3-5,9-10,22,24-26,28-30H,6-8,11-21H2,1-2H3,(H,38,45)(H,39,46)(H,40,47)/t24-,25-,26?,28-,29-,30-,54?,55?/m0/s1
InChI key： SYPXASGTWXGVRM-PYOKKQESSA-N
SMILES： CS(=O)CC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCS(=O)C)NC(=O)c2csc(n2)C(Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O
Systematic name  (3)：
  • シクロ[Pro-4-(メチルスルフィニル)-Abu-Pro-2-(α-アミノ*フェネチル)-4-チアゾリルカルボニル-4-(メチルスルフィニル)-Abu-Pro-]
  • (5S,11S,17S,20S,26S)-2-ベンジル-17,26-ビス(2-メタンスルフィニルエチル)-31-チア-3,9,15,18,24,27,32-ヘプタアザペンタシクロ[27.2.1.05,9.011,15.020,24]ドトリアコンタ-1(32),29-ジエン-4,10,16,19,25,28-ヘキサオン
  • (5S,11S,17S,20S,26S)-2-benzyl-17,26-bis(2-methanesulfinylethyl)-31-thia-3,9,15,18,24,27,32-heptaazapentacyclo[27.2.1.05,9.011,15.020,24]dotriaconta-1(32),29-diene-4,10,16,19,25,28-hexone
Other name (3)：
  • Cyclo[Pro-4-(methylsulfinyl)-Abu-Pro-2-(α-amino*phenethyl)-4-thiazolylcarbonyl-4-(methylsulfinyl)-Abu-Pro-]
  • ワイアケアミド
  • Waiakeamide
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