Chem
J-GLOBAL ID：200907057097467821   Nikkaji number：J2.108.384D

Boneratamide A methyll ester

ボネラタミドAメチルエステル
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： C25H40N2O4
Molecular formula furigana： C25-H40-N2-O4
Molecular weight： 432.605
InChI： InChI=1S/C25H40N2O4/c1-15(2)18-9-8-17(4)25(13-12-16(3)14-25)21(18)26-23(30)24(5,6)27-19(22(29)31-7)10-11-20(27)28/h14-15,17-19,21H,8-13H2,1-7H3,(H,26,30)/t17-,18+,19-,21-,25-/m1/s1
InChI key： CPLVHRQXFGNYGA-CQVUMHHCSA-N
SMILES： COC(=O)[C@H]1CCC(=O)N1C(C)(C)C(=O)N[C@@H]1[C@@H](CC[C@@H](C)[C@@]21CCC(=C2)C)C(C)C
Systematic name  (3)：
  • (2R)-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]-1,1-ジメチル-2-オキソエチル]-5-オキソピロリジン-2-カルボン酸メチル
  • メチル (2R)-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}-1-メチルエチル)-5-オキソピロリジン-2-カルボキシラート
  • methyl (2R)-1-(1-{[(5S,6R,7S,10R)-2,10-dimethyl-7-(propan-2-yl)spiro[4.5]dec-1-en-6-yl]carbamoyl}-1-methylethyl)-5-oxopyrrolidine-2-carboxylate
Other name (3)：
  • (2R)-1-[2-[[(1R,2S,5R,6S)-2-Isopropyl-5,9-dimethylspiro[5.4]deca-9-ene-1-yl]amino]-1,1-dimethyl-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid methyl ester
  • ボネラタミドAメチルエステル
  • Boneratamide A methyll ester
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