Chem
J-GLOBAL ID：200907058806814570   Nikkaji number：J1.789.865E

Anabaenopeptin D

アナベノペプチンD
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： C44H57N7O9
Molecular formula furigana： C44-H57-N7-O9
Molecular weight： 827.980
InChI： InChI=1S/C44H57N7O9/c1-27(2)37-41(56)46-34(23-20-29-18-21-32(52)22-19-29)42(57)51(4)28(3)38(53)47-35(25-30-13-7-5-8-14-30)39(54)45-24-12-11-17-33(40(55)50-37)48-44(60)49-36(43(58)59)26-31-15-9-6-10-16-31/h5-10,13-16,18-19,21-22,27-28,33-37,52H,11-12,17,20,23-26H2,1-4H3,(H,45,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H2,48,49,60)/t28-,33?,34?,35-,36-,37?/m0/s1
InChI key： ROZAAMMJQDDESR-PYEOYGEESA-N
SMILES： CC(C)C1NC(=O)C(CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)C(CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](Cc1ccccc1)C(=O)O
Systematic name  (3)：
  • N2-[[(1S)-1-カルボキシ-2-フェニルエチル]カルバモイル]シクロ[D-Lys*-L-Val-3-(4-ヒドロキシベンジル)-L-Ala-N-メチル-L-Ala-L-Phe-]
  • (2S)-2-({[(3S,6S,9S,12S,15R)-3-ベンジル-9-[2-(4-ヒドロキシフェニル)エチル]-6,7-ジメチル-2,5,8,11,14-ペンタオキソ-12-(プロパン-2-イル)-1,4,7,10,13-ペンタアザシクロノナデカン-15-イル]カルバモイル}アミノ)-3-フェニルプロパン酸
  • (2S)-2-({[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-(propan-2-yl)-1,4,7,10,13-pentaazacyclononadecan-15-yl]carbamoyl}amino)-3-phenylpropanoic acid
Other name (3)：
  • N2-[[(1S)-1-Carboxy-2-phenylethyl]carbamoyl]cyclo[D-Lys*-L-Val-3-(4-hydroxybenzyl)-L-Ala-N-methyl-L-Ala-L-Phe-]
  • アナベノペプチンD
  • Anabaenopeptin D
Thsaurus map：
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