Chem
J-GLOBAL ID：200907074987044881   Nikkaji number：J1.789.864G

Anabaenopeptin C

アナベノペプチンC
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： C41H60N8O9
Molecular formula furigana： C41-H60-N8-O9
Molecular weight： 808.978
InChI： InChI=1S/C41H60N8O9/c1-25(2)34-38(54)44-31(21-18-27-16-19-29(50)20-17-27)39(55)49(4)26(3)35(51)45-33(24-28-12-6-5-7-13-28)36(52)43-23-11-9-14-30(37(53)48-34)46-41(58)47-32(40(56)57)15-8-10-22-42/h5-7,12-13,16-17,19-20,25-26,30-34,50H,8-11,14-15,18,21-24,42H2,1-4H3,(H,43,52)(H,44,54)(H,45,51)(H,48,53)(H,56,57)(H2,46,47,58)/t26-,30?,31?,32-,33-,34?/m0/s1
InChI key： VNOIUJQJSYNRHB-ZXDOXOCLSA-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](CCCCN)C(=O)O
Systematic name  (3)：
  • N2-[[(1S)-1-カルボキシ-5-アミノペンチル]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)-6-アミノ-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)ヘキサン酸
  • (2S)-6-amino-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)hexanoic acid
Other name (3)：
  • N2-[[(1S)-1-Carboxy-5-aminopentyl]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C
  • Anabaenopeptin C
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM