Chem
J-GLOBAL ID:200907090124795817
Nikkaji number:J1.704.568G
Tripropeptin Z
トリプロペプチンZ
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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:
C48 H77 N11 O19
Molecular formula furigana:
C48-H77-N11-O19
Molecular weight:
1112.202
InChI:
InChI=1S/C48H77N11O19/c1-23(2)11-6-4-5-7-12-25-21-31(63)54-32(24(3)61)44(72)58-19-10-15-29(58)43(71)57-18-9-14-28(57)39(67)52-26(13-8-17-51-48(49)50)38(66)55-33(36(64)45(73)74)40(68)53-27(22-60)42(70)59-20-16-30(62)35(59)41(69)56-34(47(77)78-25)37(65)46(75)76/h23-30,32-37,60-62,64-65H,4-22H2,1-3H3,(H,52,67)(H,53,68)(H,54,63)(H,55,66)(H,56,69)(H,73,74)(H,75,76)(H4,49,50,51)/t24-,25?,26+,27+,28+,29+,30?,32+,33?,34+,35+,36?,37?/m1/s1
InChI key:
CDGPSUVNLUGBRV-NLPRPNJISA-N
SMILES:
CC(C)CCCCCCC1CC(=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-(7-メチルオクチル)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-(7-メチルオクチル)-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-(7-methyloctyl)-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-(7-methyloctyl)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Z
Tripropeptin Z
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