Chem
J-GLOBAL ID：200907075098310967   Nikkaji number：J1.097.230B

Anabaenopeptin G

アナバエノペプチンG
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： C49H67N7O10
Molecular formula furigana： C49-H67-N7-O10
Molecular weight： 914.114
InChI： InChI=1S/C49H67N7O10/c1-6-29(3)41-46(63)51-27-9-8-10-38(52-48(65)43(60)37(50)28-33-15-23-36(59)24-16-33)44(61)54-42(30(4)7-2)47(64)53-39(25-17-31-11-19-34(57)20-12-31)49(66)56(5)40(45(62)55-41)26-18-32-13-21-35(58)22-14-32/h11-16,19-24,29-30,37-42,57-59H,6-10,17-18,25-28,50H2,1-5H3,(H,51,63)(H,52,65)(H,53,64)(H,54,61)(H,55,62)/t29-,30-,37-,38+,39-,40?,41-,42-/m0/s1
InChI key： BKHCFHKJHGRTIO-FZYBQJPGSA-N
SMILES： CC[C@H](C)[C@@H]1NC(=O)C(CCc2ccc(O)cc2)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](CCCCNC1=O)NC(=O)C(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC
Systematic name  (3)：
  • シクロ[L-Ile-3-(4-ヒドロキシベンジル)-L-Ala-N-メチル-3-(4-ヒドロキシベンジル)-L-Ala-L-Ile-N2-(L-Tyr-カルボニル)-D-Lys*-]
  • (3S)-3-アミノ-N-[(3S,6S,9S,12S,15R)-3,12-ビス[(2S)-ブタン-2-イル]-6,9-ビス[2-(4-ヒドロキシフェニル)エチル]-7-メチル-2,5,8,11,14-ペンタオキソ-1,4,7,10,13-ペンタアザシクロノナデカン-15-イル]-4-(4-ヒドロキシフェニル)-2-オキソブタンアミド
  • (3S)-3-amino-N-[(3S,6S,9S,12S,15R)-3,12-bis[(2S)-butan-2-yl]-6,9-bis[2-(4-hydroxyphenyl)ethyl]-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl]-4-(4-hydroxyphenyl)-2-oxobutanamide
Other name (3)：
  • Cyclo[L-Ile-3-(4-hydroxybenzyl)-L-Ala-N-methyl-3-(4-hydroxybenzyl)-L-Ala-L-Ile-N2-(L-Tyr-carbonyl)-D-Lys*-]
  • アナバエノペプチンG
  • Anabaenopeptin G
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