Chem
J-GLOBAL ID：200907012480731121   Nikkaji number：J2.108.386K

Boneratamide B

ボネラタミドB
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： C23H36N2O4
Molecular formula furigana： C23-H36-N2-O4
Molecular weight： 404.551
InChI： InChI=1S/C23H36N2O4/c1-13(2)17-7-6-15(4)23(11-10-14(3)12-23)20(17)24-21(27)16(5)25-18(22(28)29)8-9-19(25)26/h12-13,15-18,20H,6-11H2,1-5H3,(H,24,27)(H,28,29)/t15-,16?,17+,18?,20-,23-/m1/s1
InChI key： SBRUKOXXLMJNFD-OAZFBVAESA-N
SMILES： CC(C)[C@@H]1CC[C@@H](C)[C@]2(CCC(=C2)C)[C@@H]1NC(=O)C(C)N1C(CCC1=O)C(=O)O
Systematic name  (3)：
  • 1-[2-[[(1R,2S,5R,6S)-2-イソプロピル-5,9-ジメチルスピロ[5.4]デカ-9-エン-1-イル]アミノ]-1-メチル-2-オキソエチル]-5-オキソピロリジン-2-カルボン酸
  • 1-(1-{[(5S,6R,7S,10R)-2,10-ジメチル-7-(プロパン-2-イル)スピロ[4.5]デカ-1-エン-6-イル]カルバモイル}エチル)-5-オキソピロリジン-2-カルボン酸
  • 1-(1-{[(5S,6R,7S,10R)-2,10-dimethyl-7-(propan-2-yl)spiro[4.5]dec-1-en-6-yl]carbamoyl}ethyl)-5-oxopyrrolidine-2-carboxylic acid
Other name (5)：
  • 1-[2-[[(1R,2S,5R,6S)-2-Isopropyl-5,9-dimethylspiro[5.4]deca-9-ene-1-yl]amino]-1-methyl-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid
  • ボネラタミドB
  • Boneratamide B
  • ボネラタミドC
  • Boneratamide C
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