Chem
J-GLOBAL ID：201507006732783250   Nikkaji number：J3.429.918H

Halichonadin O

ハリコナジンO
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： C47H72N4O5
Molecular formula furigana： C47-H72-N4-O5
Molecular weight： 773.116
InChI： InChI=1S/C47H72N4O5/c1-28(2)33-18-23-46(7)21-12-14-30(5)38(46)40(33)49-44(55)35-26-36(52)43(54)42(51(35)27-37(53)48-25-20-32-16-10-9-11-17-32)45(56)50-41-34(29(3)4)19-24-47(8)22-13-15-31(6)39(41)47/h9-11,16-17,28-29,33-36,38-43,52,54H,5-6,12-15,18-27H2,1-4,7-8H3,(H,48,53)(H,49,55)(H,50,56)/t33-,34-,35+,36-,38+,39+,40-,41-,42-,43-,46+,47+/m0/s1
InChI key： UDVRCSFQKCOKRZ-XOLQDQKXSA-N
SMILES： CC(C)[C@@H]1CC[C@@]2(C)CCCC(=C)[C@@H]2[C@H]1NC(=O)[C@H]1C[C@H](O)[C@H](O)[C@H](N1CC(=O)NCCc1ccccc1)C(=O)N[C@H]1[C@@H](CC[C@@]2(C)CCCC(=C)[C@H]12)C(C)C
Systematic name  (3)：
  • N,N′-ビス[(1S,8aβ)-2α-イソプロピル-4aα-メチル-8-メチレンデカリン-1β-イル]-1-[2-(フェネチルアミノ)-2-オキソエチル]-3β,4β-ジヒドロキシピペリジン-2α,6α-ジカルボアミド
  • (2S,3R,4S,6R)-N2,N6-ビス[(1S,2S,4aR,8aS)-4a-メチル-8-メチリデン-2-(プロパン-2-イル)-デカヒドロナフタレン-1-イル]-3,4-ジヒドロキシ-1-{[(2-フェニルエチル)カルバモイル]メチル}ピペリジン-2,6-ジカルボキサミド
  • (2S,3R,4S,6R)-N2,N6-bis[(1S,2S,4aR,8aS)-4a-methyl-8-methylidene-2-(propan-2-yl)-decahydronaphthalen-1-yl]-3,4-dihydroxy-1-{[(2-phenylethyl)carbamoyl]methyl}piperidine-2,6-dicarboxamide
Other name (3)：
  • N,N′-Bis[(1S,8aβ)-2α-isopropyl-4aα-methyl-8-methylenedecalin-1β-yl]-1-[2-(phenethylamino)-2-oxoethyl]-3β,4β-dihydroxypiperidine-2α,6α-dicarboxamide
  • ハリコナジンO
  • Halichonadin O
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