Chem
J-GLOBAL ID:201407003372927282   Nikkaji number:J3.279.470J

3-Methyl-6-(cyclohexylcarbonylamino)-1,4,5,6-tetrahydropyridazine-1,4β,6α-tricarboxylic acid 1-tert-butyl 4-ethyl 6-(4-chlorobenzyl) ester

3-メチル-6-(シクロヘキシルカルボニルアミノ)-1,4,5,6-テトラヒドロピリダジン-1,4β,6α-トリカルボン酸1-tert-ブチル4-エチル6-(4-クロロベンジル)
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: C28H38ClN3O7
Molecular formula furigana: C28-H38-CL-N3-O7
Molecular weight: 564.080
InChI: InChI=1S/C28H38ClN3O7/c1-6-37-24(34)22-16-28(30-23(33)20-10-8-7-9-11-20,25(35)38-17-19-12-14-21(29)15-13-19)32(31-18(22)2)26(36)39-27(3,4)5/h12-15,20,22H,6-11,16-17H2,1-5H3,(H,30,33)/t22-,28+/m0/s1
InChI key: LTQAOGALPMOIQR-RBISFHTESA-N
SMILES: CCOC(=O)[C@H]1C[C@@](NC(=O)C2CCCCC2)(N(N=C1C)C(=O)OC(C)(C)C)C(=O)OCc1ccc(Cl)cc1
Systematic name  (3):
  • 3-メチル-6-(シクロヘキシルカルボニルアミノ)-1,4,5,6-テトラヒドロピリダジン-1,4β,6α-トリカルボン酸1-tert-ブチル4-エチル6-(4-クロロベンジル)
  • 1-tert-ブチル 6-(4-クロロフェニル)メチル 4-エチル (4S,6R)-6-シクロヘキサネアミド-3-メチル-1,4,5,6-テトラヒドロピリダジン-1,4,6-トリカルボキシラート
  • 1-tert-butyl 6-(4-chlorophenyl)methyl 4-ethyl (4S,6R)-6-cyclohexaneamido-3-methyl-1,4,5,6-tetrahydropyridazine-1,4,6-tricarboxylate
Other name (1):
  • 3-Methyl-6-(cyclohexylcarbonylamino)-1,4,5,6-tetrahydropyridazine-1,4β,6α-tricarboxylic acid 1-tert-butyl 4-ethyl 6-(4-chlorobenzyl) ester
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