Chem
J-GLOBAL ID：200907038155150928   Nikkaji number：J1.789.863I

Anabaenopeptin A

アナベアノペプチン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： C44H57N7O10
Molecular formula furigana： C44-H57-N7-O10
Molecular weight： 843.979
InChI： InChI=1S/C44H57N7O10/c1-26(2)37-41(57)46-34(22-17-28-13-18-31(52)19-14-28)42(58)51(4)27(3)38(54)47-35(24-29-10-6-5-7-11-29)39(55)45-23-9-8-12-33(40(56)50-37)48-44(61)49-36(43(59)60)25-30-15-20-32(53)21-16-30/h5-7,10-11,13-16,18-21,26-27,33-37,52-53H,8-9,12,17,22-25H2,1-4H3,(H,45,55)(H,46,57)(H,47,54)(H,50,56)(H,59,60)(H2,48,49,61)/t27-,33?,34?,35-,36-,37?/m0/s1
InChI key： JWVKNHDSRADFFA-MDVDIBASSA-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](Cc1ccc(O)cc1)C(=O)O
Systematic name  (4)：
  • N2-[[(1S)-1-カルボキシ-2-(4-ヒドロキシフェニル)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-]
  • シクロ[L-Val-4-(4-ヒドロキシフェニル)-L-Abu-N-メチル-L-Ala-L-Phe-Nα-[[(1S)-1-カルボキシ-2-(4-ヒドロキシフェニル)エチル]カルバモイル]-D-Lys*-]
  • (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-(4-ヒドロキシフェニル)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-(4-hydroxyphenyl)propanoic acid
Other name (5)：
  • N2-[[(1S)-1-Carboxy-2-(4-hydroxyphenyl)ethyl]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A
  • Anabaenopeptin A
  • Cyclo[L-Val-4-(4-hydroxyphenyl)-L-Abu-N-methyl-L-Ala-L-Phe-Nα-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]-D-Lys*-]
  • アナベアノペプチンA
CAS registry number： 161897-73-0
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