Chem
J-GLOBAL ID：200907044892669420   Nikkaji number：J1.704.564D

Tripropeptin A

トリプロペプチン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： C49H79N11O19
Molecular formula furigana： C49-H79-N11-O19
Molecular weight： 1126.229
InChI： InChI=1S/C49H79N11O19/c1-24(2)12-7-5-4-6-8-13-26-22-32(64)55-33(25(3)62)45(73)59-20-11-16-30(59)44(72)58-19-10-15-29(58)40(68)53-27(14-9-18-52-49(50)51)39(67)56-34(37(65)46(74)75)41(69)54-28(23-61)43(71)60-21-17-31(63)36(60)42(70)57-35(48(78)79-26)38(66)47(76)77/h24-31,33-38,61-63,65-66H,4-23H2,1-3H3,(H,53,68)(H,54,69)(H,55,64)(H,56,67)(H,57,70)(H,74,75)(H,76,77)(H4,50,51,52)/t25-,26?,27+,28+,29+,30+,31?,33+,34?,35+,36+,37?,38?/m1/s1
InChI key： ZJFQULWBEYLWOH-DKOWZKJKSA-N
SMILES： CC(C)CCCCCCCC1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(C(O)C(=O)O)C(=O)N[C@@H](CO)C(=O)N2CCC(O)[C@H]2C(=O)N[C@@H](C(O)C(=O)O)C(=O)O1
Systematic name  (3)：
  • 2-デアミノ-3-(8-メチルノニル)シクロ(L-Ser*-L-Thr-L-Pro-L-Pro-L-Arg-3-ヒドロキシ-L-Asp-L-Ser-3-ヒドロキシ-L-Pro-3-ヒドロキシ-L-Asp-)
  • 2-[(1S,7S,10S,13S,16S,22S,25S,32S)-10-(3-カルバムイミドアミドプロピル)-25-[カルボキシ(ヒドロキシ)メチル]-21-ヒドロキシ-32-[(1R)-1-ヒドロキシエチル]-16-(ヒドロキシメチル)-28-(8-メチルノニル)-2,8,11,14,17,23,26,30,33-ノナオキソ-27-オキサ-3,9,12,15,18,24,31,34-オクタアザテトラシクロ[32.3.0.03,7.018,22]ヘプタトリアコンタン-13-イル]-2-ヒドロキシ酢酸
  • 2-[(1S,7S,10S,13S,16S,22S,25S,32S)-10-(3-carbamimidamidopropyl)-25-[carboxy(hydroxy)methyl]-21-hydroxy-32-[(1R)-1-hydroxyethyl]-16-(hydroxymethyl)-28-(8-methylnonyl)-2,8,11,14,17,23,26,30,33-nonaoxo-27-oxa-3,9,12,15,18,24,31,34-octaazatetracyclo[32.3.0.03,7.018,22]heptatriacontan-13-yl]-2-hydroxyacetic acid
Other name (3)：
  • 2-Deamino-3-(8-methylnonyl)cyclo(L-Ser*-L-Thr-L-Pro-L-Pro-L-Arg-3-hydroxy-L-Asp-L-Ser-3-hydroxy-L-Pro-3-hydroxy-L-Asp-)
  • トリプロペプチンA
  • Tripropeptin A
Thsaurus map：
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