L-Tyrosine, N-(1,1-dimethylethoxy)carbonyl-

HCID 117439

データを補完しています。通常は 1 分以内に完了します

基本情報

CAS: 3978-80-1
標準SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIKey: CNBUSIJNWNXLQQ-NSHDSACASA-N
分子式: C14H19NO5
平均分子量: 281.3 g/mol
単同位体質量: 281.12632271

概要

N-Boc-L-tyrosine is a L-tyrosine derivative that is L-tyrosine in which the amino group is replaced by a (tert-butoxycarbonyl)amino group. It is a tert-butyl ester and a L-tyrosine derivative.

名称と識別子

優先名称: L-Tyrosine, N-(1,1-dimethylethoxy)carbonyl-
IUPAC: (2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

名称と別名

L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-L-Tyrosine, N-((1,1-dimethylethoxy)carbonyl)-RefChem:798165L-Tyrosine, N-(1,1-dimethylethoxy)carbonyl-Boc-Tyr-OH3978-80-1Boc-L-tyrosineN-Boc-L-tyrosineN-(tert-Butoxycarbonyl)-L-tyrosineN-(tert-Butyloxycarbonyl)-L-tyrosinMFCD00037179N-(TERT-BUTOXYCARBONYL)TYROSINE

名称をさらに表示

N-tert-butoxycarbonyl-L-tyrosine(S)-2-((tert-butoxycarbonyl)amino)-3-(4-hydroxyphenyl)propanoic acidCHEMBL65386(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidN-[(1,1-DIMETHYLETHOXY)CARBONYL]-L-TYROSINE(TERT-BUTOXYCARBONYL)-L-TYROSINEM03338N-Boc-tyrosine

データベース識別子

CAS: 3978-80-1
PubChem CID: 117439
DTXSID: DTXSID101317235
ChEMBL: CHEMBL65386
ChEBI: CHEBI:231573
UNII: MZB5K4HG7T
EC Number: 223-613-7
Nikkaji: J217.809E

物性

構造計算による物性補完中

XLogP: 1.5
極性表面積: 95.9 Å²
水素結合供与体数: 3
水素結合受容体数: 5
回転可能結合数: 6
重原子数: 20
形式電荷: 0
複雑度: 342

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 37.5% (3 of 8) of reports.

Warning

H315 (62.5%): 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 8 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationL-Tyrosine, N-(1,1-dimethylethoxy)carbonyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (62.5%)