Chem
J-GLOBAL ID：200907021955914705   Nikkaji number：J397.547I

Syringostatin A

シリンゴスタチン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： C50H87ClN12O18
Molecular formula furigana： C50-H87-CL-N12-O18
Molecular weight： 1179.760
InChI： InChI=1S/C50H87ClN12O18/c1-4-6-7-8-9-10-11-12-13-15-28(67)24-36(69)63-34(26-65)46(76)62-39(40(70)50(80)81)48(78)59-32(18-22-54)43(73)57-31(17-21-53)42(72)58-33(19-23-64)44(74)56-30(16-14-20-52)45(75)60-37(27(3)66)47(77)55-29(5-2)41(71)61-38(49(63)79)35(68)25-51/h5,27-28,30-35,37-40,64-68,70H,4,6-26,52-54H2,1-3H3,(H,55,77)(H,56,74)(H,57,73)(H,58,72)(H,59,78)(H,60,75)(H,61,71)(H,62,76)(H,80,81)/b29-5-/t27-,28?,30-,31-,32+,33+,34-,35+,37-,38-,39-,40-/m0/s1
InChI key： WVMWIILPSHRGPH-YOUPWGSWSA-N
SMILES： CCCCCCCCCCCC(O)CC(=O)N1[C@@H](CO)C(=O)N[C@@H]([C@H](O)C(=O)O)C(=O)N[C@H](CCN)C(=O)N[C@@H](CCN)C(=O)N[C@H](CCO)C(=O)N[C@@H](CCCN)C(=O)N[C@@H]([C@H](C)O)C(=O)N/C(=C\C)/C(=O)N[C@@H]([C@H](O)CCl)C1=O
Systematic name  (3)：
  • N-(3-ヒドロキシテトラデカノイル)シクロ(L-Ser-D-A2bu-L-A2bu-D-Hse-L-Orn-L-aThr-[(Z)-2-アミノ*-2-ブテノイル]-[(3S)-3-ヒドロキシ-L-Asp-]-4-クロロ-L-Thr-)
  • (2S)-2-[(2S,5R,8S,11R,14S,17S,20Z,23S,26S)-5,8-ビス(2-アミノエチル)-14-(3-アミノプロピル)-23-[(1S)-2-クロロ-1-ヒドロキシエチル]-20-エチリデン-11-(2-ヒドロキシエチル)-17-[(1S)-1-ヒドロキシエチル]-26-(ヒドロキシメチル)-25-(3-ヒドロキシテトラデカノイル)-3,6,9,12,15,18,21,24,27-ノナオキソ-1,4,7,10,13,16,19,22,25-ノナアザシクロヘプタコサン-2-イル]-2-ヒドロキシ酢酸
  • (2S)-2-[(2S,5R,8S,11R,14S,17S,20Z,23S,26S)-5,8-bis(2-aminoethyl)-14-(3-aminopropyl)-23-[(1S)-2-chloro-1-hydroxyethyl]-20-ethylidene-11-(2-hydroxyethyl)-17-[(1S)-1-hydroxyethyl]-26-(hydroxymethyl)-25-(3-hydroxytetradecanoyl)-3,6,9,12,15,18,21,24,27-nonaoxo-1,4,7,10,13,16,19,22,25-nonaazacycloheptacosan-2-yl]-2-hydroxyacetic acid
Other name (5)：
  • シリンゴスタチンA
  • Syringostatin A
  • 3-(2,4-ジアミノブタン酸)シリンゴトキシン
  • 3-(2,4-Diaminobutanoic acid)syringotoxin
  • N-(3-Hydroxytetradecanoyl)cyclo(L-Ser-D-A2bu-L-A2bu-D-Hse-L-Orn-L-aThr-[(Z)-2-amino*-2-butenoyl]-[(3S)-3-hydroxy-L-Asp-]-4-chloro-L-Thr-)
CAS registry number： 125051-66-3
Application (4)：
depsipeptide ,  peptide antibiotics ,  antifungal drug ,  bacterial toxin
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