Chem
J-GLOBAL ID：201707008007044724
Nikkaji number：J3.645.243I
N,N′,N′′-Tris[(1S)-1-(hydroxycarbonyl)-3-methylpentyl]cyclohexane-1β,3β,5β-tricarboxamide
N,N′,N′′-トリス[(1S)-1-(ヒドロキシカルボニル)-3-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 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
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
Molecular formula： C30H51N3O9
Molecular formula furigana： C30-H51-N3-O9
Molecular weight： 597.750
InChI：
InChI=1S/C30H51N3O9/c1-7-16(4)10-22(28(37)38)31-25(34)19-13-20(26(35)32-23(29(39)40)11-17(5)8-2)15-21(14-19)27(36)33-24(30(41)42)12-18(6)9-3/h16-24H,7-15H2,1-6H3,(H,31,34)(H,32,35)(H,33,36)(H,37,38)(H,39,40)(H,41,42)/t16?,17?,18?,19?,20?,21?,22-,23-,24-/m0/s1
InChI key：
JXWCWTXRKZGXRN-FLSCJWPFSA-N
SMILES：
CCC(C)C[C@H](NC(=O)C1C[C@@H](CC(C1)C(=O)N[C@@H](CC(C)CC)C(=O)O)C(=O)N[C@@H](CC(C)CC)C(=O)O)C(=O)O
Systematic name (3)：
- N,N′,N′′-トリス[(1S)-1-(ヒドロキシカルボニル)-3-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-3-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}-4-メチルヘキサン酸
- (2S)-2-{[3,5-bis({[(1S)-1-carboxy-3-methylpentyl]carbamoyl})cyclohexyl]formamido}-4-methylhexanoic acid
- N,N′,N′′-Tris[(1S)-1-(hydroxycarbonyl)-3-methylpentyl]cyclohexane-1β,3β,5β-tricarboxamide
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