tert-Butoxycarbonyl-L-isoleucine

HCID 2724762

ノート反応

データを補完しています。通常は 1 分以内に完了します

部分構造検索類似構造を探す

基本情報

CAS: 13139-16-7
標準SMILES: CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O
InChIKey: QJCNLJWUIOIMMF-YUMQZZPRSA-N
分子式: C11H21NO4
平均分子量: 231.29 g/mol
単同位体質量: 231.14705815

名称と識別子

優先名称: tert-Butoxycarbonyl-L-isoleucine
IUPAC: (2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

名称と別名

N-(tert-Butoxycarbonyl)-L-isoleucinetert-Butoxycarbonyl-L-isoleucineDTXSID40884508RefChem:891501DTXCID401775361236-074-8Boc-L-isoleucine13139-16-7Boc-Ile-OHBoc-L-Ile-OH116194-21-9Boc-DL-Ile-OH

名称をさらに表示

N-Boc-L-isoleucineBoc-DL-isoleucineL-Isoleucine, N-[(1,1-dimethylethoxy)carbonyl]-(2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-methylpentanoic acidMFCD00038324tert-Butoxycarbonylisoleucine(TERT-BUTOXYCARBONYL)-L-ISOLEUCINE(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

データベース識別子

CAS: 13139-16-7
PubChem CID: 2724762
DTXSID: DTXSID40884508
ChEMBL: CHEMBL1229089
EC Number: 236-074-8
Nikkaji: J208.112A

物性

構造計算による物性補完中

XLogP: 1.6
極性表面積: 75.6 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 6
重原子数: 16
形式電荷: 0
複雑度: 257

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.