2-((tert-Butoxycarbonyl)amino)-3-(thiazol-4-yl)propanoic acid

HCID 14540322CAS 119378-93-7

基本情報

標準SMILES: CC(C)(C)OC(=O)NC(Cc1cscn1)C(=O)O
InChIKey: RVXBTZJECMMZSB-UHFFFAOYSA-N
分子式: C11H16N2O4S
平均分子量: 272.32 g/mol

名称と識別子

優先名称: 2-((tert-Butoxycarbonyl)amino)-3-(thiazol-4-yl)propanoic acid
IUPAC: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-thiazol-4-yl)propanoic acid
英語名: Boc-3-(4-thiazolyl)-DL-alanine
分子式: C11H16N2O4S
分子量: 272.32

名称と別名

119378-93-7BOC-3-(4-THIAZOLYL)-DL-ALANINE2-((tert-Butoxycarbonyl)amino)-3-(thiazol-4-yl)propanoic acidMFCD029297702-{[(tert-butoxy)carbonyl]amino}-3-(1,3-thiazol-4-yl)propanoic acid2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-thiazol-4-yl)propanoic acid(RS)-Boc-3-(4-thiazolyl)alanineBoc-D-4-ThiazoylalanineBoc-L-4-Thiazoylalanine(S)-2-(Boc-amino)-3-(4-thiazolyl)propionic acidSCHEMBL478735Boc-?-(4-thiazolyl)-Ala-OH

名称をさらに表示

Boc-DL-Tza-OHBOC-DL-4-THIAZOLYLALANINEN-Boc-4-Thiazolyl-DL-alanineN-tert-Butyloxycarbonyl-DL-(4-thiazolyl)alanine4-Thiazolepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-

Boc-L-3-(4-thiazolyl)alanineRVXBTZJECMMZSB-UHFFFAOYSA-NBoc-L-3-(4-Thiazolyl )-alanineAKOS010056749LS-13982SY382375DB-254070CS-0441907

データベース識別子

CAS: 119378-93-7
PubChem CID: 14540322
EC Number: 170-971-4

物性

構造計算による物性

XLogP: 1.6
極性表面積: 117 Å²
水素結合供与体数: 2
水素結合受容体数: 6
回転可能結合数: 6
重原子数: 18
形式電荷: 0
複雑度: 317

物理化学的性質

沸点: 456.8 · 456.8±40.0 °C(Predicted)
比重(密度): 1.288 · 1.288±0.06 g/cm3(Predicted)
貯蔵温度: Store at Room Tem.
酸解離定数(Pka): 3.53 · 3.53±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.