N-(tert-ブトキシカルボニル)-D-tert-ロイシン

(2R)-2-{[(tert-butoxy)carbonyl]amino}-3,3-dimethylbutanoic acid

HCID 7005057

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 124655-17-0
標準SMILES: CC(C)(C)OC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIKey: LRFZIPCTFBPFLX-ZETCQYMHSA-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: (2R)-2-{[(tert-butoxy)carbonyl]amino}-3,3-dimethylbutanoic acid
IUPAC: (2R)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
現地名: N-(tert-ブトキシカルボニル)-D-tert-ロイシン
英語名: Boc-D-alpha-t-butylglycine
分子式: C11H21NO4
分子量: 231.29

名称と別名

(2R)-2-{[(tert-butoxy)carbonyl]amino}-3,3-dimethylbutanoic acid(2R)-2-(((tert-butoxy)carbonyl)amino)-3,3-dimethylbutanoic acidRefChem:396928676-419-3124655-17-0boc-d-tert-leucineN-Boc-D-tert-leucineboc-d-tle-oh(R)-2-((tert-Butoxycarbonyl)amino)-3,3-dimethylbutanoic acid(r)-n-(tert-butoxycarbonyl)-tert-leucineN-(tert-Butoxycarbonyl)-D-tert-leucineD-Valine, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-

名称をさらに表示

N-(tert-ブトキシカルボニル)-D-tert-ロイシン(R)-2-(Boc-アミノ)-3,3-ジメチル酪酸(R)-2-(tert-ブトキシカルボニルアミノ)-3,3-ジメチル酪酸N-Boc-D-tert-ロイシンBOC-D-Α-T-ブチルグリシンBoc-D-Tle-0HBoc-D-TleBoc-D-t-LeuBOC-TBU-D-GLY-OHBOC-D-(TBU)GLY-OHBOC-D- Tert-Leu-OHBOC-D-T-BUTYLGLYCINE

MFCD00065575(2R)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid(2R)-2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoic acidN-Boc-D-tert-butylglycineBOC-D-ALPHA-T-BUTYLGLYCINEN-(tert-butoxycarbonyl)-3-methyl-D-valine(R)-N-Boc-2-amino-3,3-dimethylbutyric acidN-{[(1,1-dimethylethyl)oxy]carbonyl}-3-methyl-D-valine

データベース識別子

CAS: 124655-17-0
PubChem CID: 7005057
DTXSID: DTXSID40426487
EC Number: 676-419-3

物性

構造計算による物性

XLogP: 2.3
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: 5
重原子数: 16
形式電荷: 0
複雑度: 273

物理化学的性質

融点: 118 · 118-121°C
沸点: 350 · 350.0±25.0 °C(Predicted)
比重(密度): 1.063 · 1.063±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: slightly sol. in Methanol
酸解離定数(Pka): 4.03 · 4.03±0.10(Predicted)
外見: 個体
色: White to Almost white
InChI: InChI=1S/C11H21NO4/c1-10(2,3)7(8(13)14)12-9(15)16-11(4,5)6/h7H,1-6H3,(H,12,15)(H,13,14)/t7-/m0/s1
InChIKey: LRFZIPCTFBPFLX-ZETCQYMHSA-N
SMILES: C(O)(=O)[C@@H](C(C)(C)C)NC(OC(C)(C)C)=O
CAS データベース: 124655 · 124655-17-0(CAS DataBase Reference)

化学的性質

化学的特性White powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.