Chem
J-GLOBAL ID：201707012899683758   Nikkaji number：J3.645.248J

N,N′,N′′-Tris[(S)-1-(hydroxycarbonyl)propyl]cyclohexane-1β,3β,5β-tricarboxamide

N,N′,N′′-トリス[(S)-1-(ヒドロキシカルボニル)プロピル]シクロヘキサン-1β,3β,5β-トリカルボアミド
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： C21H33N3O9
Molecular formula furigana： C21-H33-N3-O9
Molecular weight： 471.507
InChI： InChI=1S/C21H33N3O9/c1-4-13(19(28)29)22-16(25)10-7-11(17(26)23-14(5-2)20(30)31)9-12(8-10)18(27)24-15(6-3)21(32)33/h10-15H,4-9H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)(H,28,29)(H,30,31)(H,32,33)/t10?,11?,12?,13-,14-,15-/m0/s1
InChI key： HZOBNOGWEPMJQF-KTCXKQTNSA-N
SMILES： CC[C@H](NC(=O)C1C[C@@H](CC(C1)C(=O)N[C@@H](CC)C(=O)O)C(=O)N[C@@H](CC)C(=O)O)C(=O)O
Systematic name  (3)：
  • N,N′,N′′-トリス[(S)-1-(ヒドロキシカルボニル)プロピル]シクロヘキサン-1β,3β,5β-トリカルボアミド
  • (2S)-2-{[3,5-ビス({[(1S)-1-カルボキシプロピル]カルバモイル})シクロヘキシル]ホルムアミド}ブタン酸
  • (2S)-2-{[3,5-bis({[(1S)-1-carboxypropyl]carbamoyl})cyclohexyl]formamido}butanoic acid
Other name (1)：
  • N,N′,N′′-Tris[(S)-1-(hydroxycarbonyl)propyl]cyclohexane-1β,3β,5β-tricarboxamide
Thsaurus map：
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