N-(1-Hydroxyethylidene)isoleucine

HCID 306109CAS 19764-31-9

基本情報

標準SMILES: CCC(C)C(NC(C)=O)C(=O)O
InChIKey: JDTWZSUNGHMMJM-IYSWYEEDSA-N
分子式: C8H15NO3
平均分子量: 173.21 g/mol

概要

N-acetylisoleucine is an isoleucine derivative that is the N-acetyl derivative of isoleucine. It has a role as a human metabolite.

名称と識別子

優先名称: N-(1-Hydroxyethylidene)isoleucine
IUPAC: 2-acetamido-3-methylpentanoic acid
英語名: 2-acetamido-3-methyl-pentanoic acid
分子式: C8H15NO3
分子量: 173.21

名称と別名

DTXSID20942377RefChem:1090799N-(1-Hydroxyethylidene)isoleucineDTXCID80103334120257-17-4N-Acetyl-DL-alloisoleucineDL-Alloisoleucine, N-acetyl-isoleucine, N-acetyl-2-ACETAMIDO-3-METHYL-PENTANOIC ACIDN-ACETYL-D-(allo)-ISOLEUCINE33601-90-02-(acetylamino)-3-methylpentanoic acid

名称をさらに表示

Nsc203806Acetyl-D-isoleucineN-Acetyl-D-isoleucineD-Isoleucine, N-acetyl-Isoleucine, N-acetyl-, D-(2R,3R)-2-acetamido-3-methylpentanoic acid

2460646-17-5N-acetyl-DL-isoleucineAlloisoleucine, N-acetyl-Isoleucine, N-acetyl-, DL-NSC203805DL-acetylalloisoleucineOprea1_237024SCHEMBL428458

データベース識別子

CAS: 19764-31-9、20257-17-4、3077-46-1、33601-90-0
PubChem CID: 306109
ChEBI: CHEBI:84056
Nikkaji: J364.297F

物性

構造計算による物性

XLogP: 0.6
極性表面積: 66.4 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 12
形式電荷: 0
複雑度: 179

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