Chem
J-GLOBAL ID：201807018811479043   Nikkaji number：J3.727.713D

(1S,9R,16S,18R)-13-Oxo-2,12-diazapentacyclo[14.2.2.01,9.03,8.012,16]icosane-3,5,7,14-tetraene-2,9,18-tris(carboxylic acid methyl) ester

(1S,9R,16S,18R)-13-オキソ-2,12-ジアザペンタシクロ[14.2.2.01,9.03,8.012,16]イコサン-3,5,7,14-テトラエン-2,9,18-トリス(カルボン酸メチル)
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： C24H26N2O7
Molecular formula furigana： C24-H26-N2-O7
Molecular weight： 454.479
InChI： InChI=1S/C24H26N2O7/c1-31-19(28)16-14-22-9-8-18(27)25(22)13-12-23(20(29)32-2)15-6-4-5-7-17(15)26(21(30)33-3)24(16,23)11-10-22/h4-9,16H,10-14H2,1-3H3/t16-,22-,23-,24-/m0/s1
InChI key： VOHFPFMHDXIAOK-GRYKHCQJSA-N
SMILES： COC(=O)[C@@H]1C[C@]23CC[C@@]41N(C(=O)OC)c1ccccc1[C@@]4(CCN2C(=O)C=C3)C(=O)OC
Systematic name  (3)：
  • (1S,9R,16S,18R)-13-オキソ-2,12-ジアザペンタシクロ[14.2.2.01,9.03,8.012,16]イコサン-3,5,7,14-テトラエン-2,9,18-トリス(カルボン酸メチル)
  • 2,9,18-トリメチル (1S,9R,16S,18R)-13-オキソ-2,12-ジアザペンタシクロ[14.2.2.01,9.03,8.012,16]イコサ-3,5,7,14-テトラエン-2,9,18-トリカルボキシラート
  • 2,9,18-trimethyl (1S,9R,16S,18R)-13-oxo-2,12-diazapentacyclo[14.2.2.01,9.03,8.012,16]icosa-3,5,7,14-tetraene-2,9,18-tricarboxylate
Other name (1)：
  • (1S,9R,16S,18R)-13-Oxo-2,12-diazapentacyclo[14.2.2.01,9.03,8.012,16]icosane-3,5,7,14-tetraene-2,9,18-tris(carboxylic acid methyl) ester
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