CAS 145126-18-7 4-(Benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid (HCID 4450951)

基本情報

CAS: 145126-18-7
標準SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C(=O)OCc1ccccc1
InChIKey: LDRWTKQWSXGSTM-UHFFFAOYSA-N
分子式: C16H21NO6
平均分子量: 323.34 g/mol
単同位体質量: 323.13688739

名称と識別子

優先名称: 4-(Benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid
IUPAC: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoic acid

名称と別名

4-(benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid145126-18-74-(benzyloxy)-3-(((tert-butoxy)carbonyl)amino)-4-oxobutanoic acidRefChem:515214962-658-3Boc-D-aspartic acid a-benzyl esterBoc-L-aspartic acid a-benzyl esterSCHEMBL3004720LDRWTKQWSXGSTM-UHFFFAOYSA-NAKOS015963150AC-19257LS-14512

名称をさらに表示

PD197313DB-011227EN300-124575882-tert-Butoxycarbonylamino-succinic acid 1-benzyl ester4-benzyloxy-3-(tert-butoxycarbonylamino)-4-oxo-butanoic acid(R)-4-(benzyloxy)-3-(tert-butoxycarbonylamino)-4-oxobutanoic acid

データベース識別子

CAS: 145126-18-7
PubChem CID: 4450951
EC Number: 962-658-3
Nikkaji: J2.645.999K

物性

構造計算による物性

XLogP: 1.9
極性表面積: 102 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: 9
重原子数: 23
形式電荷: 0
複雑度: 423

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

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