Chem
J-GLOBAL ID：201707006390303255   Nikkaji number：J3.645.242K

N,N′,N′′-Tris[(S)-1-(hydroxycarbonyl)-4-methylpentyl]cyclohexane-1β,3β,5β-tricarboxamide

N,N′,N′′-トリス[(S)-1-(ヒドロキシカルボニル)-4-メチルペンチル]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： C30H51N3O9
Molecular formula furigana： C30-H51-N3-O9
Molecular weight： 597.750
InChI： InChI=1S/C30H51N3O9/c1-16(2)7-10-22(28(37)38)31-25(34)19-13-20(26(35)32-23(29(39)40)11-8-17(3)4)15-21(14-19)27(36)33-24(30(41)42)12-9-18(5)6/h16-24H,7-15H2,1-6H3,(H,31,34)(H,32,35)(H,33,36)(H,37,38)(H,39,40)(H,41,42)/t19?,20?,21?,22-,23-,24-/m0/s1
InChI key： UZIKYBWTYGHEAA-LKDGEGJSSA-N
SMILES： CC(C)CC[C@H](NC(=O)C1C[C@@H](CC(C1)C(=O)N[C@@H](CCC(C)C)C(=O)O)C(=O)N[C@@H](CCC(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)-4-メチルペンチル]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-4-メチルペンチル]カルバモイル})シクロヘキシル]ホルムアミド}-5-メチルヘキサン酸
  • (2S)-2-{[3,5-bis({[(1S)-1-carboxy-4-methylpentyl]carbamoyl})cyclohexyl]formamido}-5-methylhexanoic acid
Other name (1)：
  • N,N′,N′′-Tris[(S)-1-(hydroxycarbonyl)-4-methylpentyl]cyclohexane-1β,3β,5β-tricarboxamide
Thsaurus map：
Thesaurus Map

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