Chem
J-GLOBAL ID：200907036252524058   Nikkaji number：J1.144.632I

Trunkamide A

トルンカミド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： C43H63N7O8S
Molecular formula furigana： C43-H63-N7-O8-S
Molecular weight： 838.080
InChI： InChI=1S/C43H63N7O8S/c1-11-25(4)33-38(54)44-26(5)41(56)50-21-17-20-32(50)37(53)45-29(22-28-18-15-14-16-19-28)40-47-31(24-59-40)36(52)49-34(27(6)58-43(9,10)13-3)39(55)46-30(35(51)48-33)23-57-42(7,8)12-2/h12-16,18-19,25-27,29-34H,2-3,11,17,20-24H2,1,4-10H3,(H,44,54)(H,45,53)(H,46,55)(H,48,51)(H,49,52)/t25-,26-,27+,29-,30-,31-,32-,33-,34-/m0/s1
InChI key： UTERRJKSLJLXTA-LVPVHDLMSA-N
SMILES： CC[C@H](C)[C@@H]1NC(=O)[C@H](COC(C)(C)C=C)NC(=O)[C@@H](NC(=O)[C@@H]2CSC(=N2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC1=O)[C@@H](C)OC(C)(C)C=C
Systematic name  (3)：
  • シクロ[L-Ala-L-Pro-[2-[(S)-α-アミノ*フェネチル]-2-チアゾリン-4α-イルカルボニル]-O-(1,1-ジメチル-2-プロペニル)-L-Thr-O-(1,1-ジメチル-2-プロペニル)-L-Ser-L-Ile-]
  • (2S,5S,11S,14S,17S,20S,23R)-2-ベンジル-14-[(2S)-ブタン-2-イル]-11-メチル-20-[(1R)-1-[(2-メチルブタ-3-エン-2-イル)オキシ]エチル]-17-{[(2-メチルブタ-3-エン-2-イル)オキシ]メチル}-25-チア-3,9,12,15,18,21,26-ヘプタアザトリシクロ[21.2.1.05,9]ヘキサコサ-1(26)-エン-4,10,13,16,19,22-ヘキサオン
  • (2S,5S,11S,14S,17S,20S,23R)-2-benzyl-14-[(2S)-butan-2-yl]-11-methyl-20-[(1R)-1-[(2-methylbut-3-en-2-yl)oxy]ethyl]-17-{[(2-methylbut-3-en-2-yl)oxy]methyl}-25-thia-3,9,12,15,18,21,26-heptaazatricyclo[21.2.1.05,9]hexacos-1(26)-ene-4,10,13,16,19,22-hexone
Other name (3)：
  • Cyclo[L-Ala-L-Pro-[2-[(S)-α-amino*phenethyl]-2-thiazoline-4α-ylcarbonyl]-O-(1,1-dimethyl-2-propenyl)-L-Thr-O-(1,1-dimethyl-2-propenyl)-L-Ser-L-Ile-]
  • トルンカミドA
  • Trunkamide A
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