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
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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:
C21 H33 N3 O9
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
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