Chem
J-GLOBAL ID：201707003321539574   Nikkaji number：J3.645.241B

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

N,N′,N′′-トリス[(S)-1-(ヒドロキシカルボニル)-3-メチルブチル]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： C27H45N3O9
Molecular formula furigana： C27-H45-N3-O9
Molecular weight： 555.669
InChI： InChI=1S/C27H45N3O9/c1-13(2)7-19(25(34)35)28-22(31)16-10-17(23(32)29-20(26(36)37)8-14(3)4)12-18(11-16)24(33)30-21(27(38)39)9-15(5)6/h13-21H,7-12H2,1-6H3,(H,28,31)(H,29,32)(H,30,33)(H,34,35)(H,36,37)(H,38,39)/t16?,17?,18?,19-,20-,21-/m0/s1
InChI key： FRMMBOHPXWGCAR-AYUYWISESA-N
SMILES： CC(C)C[C@H](NC(=O)C1C[C@@H](CC(C1)C(=O)N[C@@H](CC(C)C)C(=O)O)C(=O)N[C@@H](CC(C)C)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)-3-メチルブチル]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-3-メチルブチル]カルバモイル})シクロヘキシル]ホルムアミド}-4-メチルペンタン酸
  • (2S)-2-{[3,5-bis({[(1S)-1-carboxy-3-methylbutyl]carbamoyl})cyclohexyl]formamido}-4-methylpentanoic acid
Other name (1)：
  • N,N′,N′′-Tris[(S)-1-(hydroxycarbonyl)-3-methylbutyl]cyclohexane-1β,3β,5β-tricarboxamide
Thsaurus map：
Thesaurus Map

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