Chem
J-GLOBAL ID：201507008320061040   Nikkaji number：J3.429.917J

Halichonadin N

ハリコナジンN
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： C39H63N3O4
Molecular formula furigana： C39-H63-N3-O4
Molecular weight： 637.950
InChI： InChI=1S/C39H63N3O4/c1-23(2)27-16-20-38(7)18-10-12-25(5)32(38)34(27)40-31(43)22-42-29(14-15-30(42)37(45)46-9)36(44)41-35-28(24(3)4)17-21-39(8)19-11-13-26(6)33(35)39/h23-24,27-30,32-35H,5-6,10-22H2,1-4,7-9H3,(H,40,43)(H,41,44)/t27-,28-,29-,30+,32+,33+,34-,35-,38+,39+/m0/s1
InChI key： MIECFHFZIQXHGD-VEUQQSFNSA-N
SMILES： COC(=O)[C@H]1CC[C@H](N1CC(=O)N[C@H]1[C@@H](CC[C@@]2(C)CCCC(=C)[C@H]12)C(C)C)C(=O)N[C@H]1[C@@H](CC[C@@]2(C)CCCC(=C)[C@H]12)C(C)C
Systematic name  (3)：
  • 1-[2-[[(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]アミノ]-2-オキソエチル]-5β-[[(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]カルバモイル]ピロリジン-2β-カルボン酸メチル
  • メチル (2R,5S)-5-{[(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]カルバモイル}-1-({[(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]カルバモイル}メチル)ピロリジン-2-カルボキシラート
  • methyl (2R,5S)-5-{[(1S,2S,4aR,8aS)-4a-methyl-8-methylidene-2-(propan-2-yl)-decahydronaphthalen-1-yl]carbamoyl}-1-({[(1S,2S,4aR,8aS)-4a-methyl-8-methylidene-2-(propan-2-yl)-decahydronaphthalen-1-yl]carbamoyl}methyl)pyrrolidine-2-carboxylate
Other name (3)：
  • 1-[2-[[(1S,8aβ)-2α-Isopropyl-4aα-methyl-8-methylenedecalin-1β-yl]amino]-2-oxoethyl]-5β-[[(1S,8aβ)-2α-isopropyl-4aα-methyl-8-methylenedecalin-1β-yl]carbamoyl]pyrrolidine-2β-carboxylic acid methyl ester
  • ハリコナジンN
  • Halichonadin N
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