rac-(R*)-2-(ベンジルオキシカルボニルアミノ)-3-(4-ヒドロキシフェニル)プロピオン酸

N-[(benzyloxy)carbonyl]-L-tyrosine

HCID 98199

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1164-16-5
標準SMILES: O=C(NC(Cc1ccc(O)cc1)C(=O)O)OCc1ccccc1
InChIKey: MCRMUCXATQAAMN-UHFFFAOYSA-N
分子式: C17H17NO5
平均分子量: 315.32 g/mol
単同位体質量: 315.11067264

名称と識別子

優先名称: N-[(benzyloxy)carbonyl]-L-tyrosine
IUPAC: 3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
現地名: rac-(R*)-2-(ベンジルオキシカルボニルアミノ)-3-(4-ヒドロキシフェニル)プロピオン酸
英語名: N-benzyloxycarbonyl-DL-tyrosine
分子式: C17H17NO5
分子量: 315.32

名称と別名

EINECS 214-609-6NSC 88488N-((Benzyloxy)carbonyl)-L-tyrosineN-[(benzyloxy)carbonyl]-L-tyrosineRefChem:823166214-609-65618-98-42-{[(BENZYLOXY)CARBONYL]AMINO}-3-(4-HYDROXYPHENYL)PROPANOIC ACIDN-Benzyloxycarbonyl-DL-tyrosine((Benzyloxy)carbonyl)tyrosineZ-L-TyrosineN-[(Phenylmethoxy)carbonyl]tyrosine

名称をさらに表示

N-[(フェニルメトキシ)カルボニル]-DL-チロシンrac-(R*)-2-(ベンジルオキシカルボニルアミノ)-3-(4-ヒドロキシフェニル)プロピオン酸(±)-N-[(フェニルメトキシ)カルボニル]チロシンN-(ベンジルオキシカルボニル)-DL-チロシンTyrosine, N-[(phenylmethoxy)carbonyl]-N-[(Phenylmethoxy)carbonyl]-DL-tyrosine(±)-N-[(Phenylmethoxy)carbonyl]tyrosineN-Methyl-N-benzyloxycarbonyl-L-Phenylalanine, derivative of

Cbz-Tyr-OH2-([(Benzyloxy)carbonyl]amino)-3-(4-hydroxyphenyl)propanoic acid(2R)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acidcbz-dl-tyrosineNSC88488EINECS 227-046-63-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acidNCIOpen2_009885

データベース識別子

CAS: 1164-16-5、5618-98-4
PubChem CID: 98199
EC Number: 214-609-6、227-046-6
Nikkaji: J1.459.854E

物性

構造計算による物性

XLogP: 1.7
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: 7
重原子数: 23
形式電荷: 0
複雑度: 386

物理化学的性質

沸点: 570.814 · 570.814±50.00 °C(Press: 760.00 Torr)(predicted)
比重(密度): 1.324 · 1.324±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
酸解離定数(Pka): 2.966 · 2.966±0.10(predicted)

安全と法規制

GHS分類

GHS Classification · 6 件

Not Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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.