L-Glutamic acid, N-((1,1-dimethylethoxy)carbonyl)-, 5-(phenylmethyl) ester (HCID 83589)

名称と識別子

優先名称: L-Glutamic acid, N-((1,1-dimethylethoxy)carbonyl)-, 5-(phenylmethyl) ester
IUPAC: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic acid
現地名: N-(tert-ブトキシカルボニル)-L-グルタミン酸5-ベンジル
英語名: Boc-L-Glutamic acid 5-benzylester
分子式: C17H23NO6
分子量: 337.37

名称と別名

L-Glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 5-(phenylmethyl) esterEINECS 237-007-5DTXSID40883495L-Glutamic acid, N-((1,1-dimethylethoxy)carbonyl)-, 5-(phenylmethyl) esterN-((1,1-Dimethylethoxy)carbonyl)-L-glutamic acid, 5-(phenylmethyl) ester5-Benzyl N-((1,1-dimethylethoxy)carbonyl)-L-glutamate5-Benzyl N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate5-(Phenylmethyl) hydrogen N-((1,1-dimethylethoxy)carbonyl)-L-glutamate5-(Phenylmethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamateN-[(1,1-Dimethylethoxy)carbonyl]-L-glutamic acid, 5-(phenylmethyl) esterRefChem:796305DTXCID201023023

名称をさらに表示

N-(tert-ブトキシカルボニル)-L-グルタミン酸5-ベンジルN-(tert-ブトキシカルボニル)-5-オキソ-5-(ベンジルオキシ)-L-ノルバリンN-tert-ブトキシカルボニル-L-グルタミン酸5-ベンジルN-(tert-ブチルオキシカルボニル)-L-グルタミン酸5-ベンジルN-(tert-ブトキシカルボニル)-L-グルタミン酸δ-ベンジルBoc-5-オキソ-5-(ベンジルオキシ)-Nva-OHN-[(1,1-ジメチルエトキシ)カルボニル]-L-グルタミン酸5-(フェニルメチル)(S)-2-[(tert-ブチルオキシカルボニル)アミノ]-5-オキソ-5-(ベンジルオキシ)ペンタン酸(4S)-4-(tert-ブトキシカルボニルアミノ)グルタル酸1-ベンジル5-オキソ-5-(ベンジルオキシ)-N-(tert-ブトキシカルボニル)-L-ノルバリン(S)-2-[(tert-ブチルオキシカルボニル)アミノ]ペンタン二酸5-ベンジルBOC-GLU(OBZL)-OH(結晶)BOC-L-グルタミン酸5-ベンジルエステルN-Boc-L-グルタミン酸5-ベンジルBOC‐GLU(OBZL)‐OH(結晶)BOC-グルタミン酸(OBZL)(2S)-5-(ベンジルオキシ)-2-{[(tert-ブトキシ)カルボニル]アミノ}-5-オキソペンタン酸Boc-L-αγGlu-(OBzl)-OH(S)-5-(benzyloxy)-2-((tert-butoxycarbonyl)aMino)-5-oxopentanoic acidBOC-L-GLU(OBZL)-OHBoc-Glu(Bzl)-OHBOC-CLU(OBZL)-OHBOC-L-GLU(BZL)-OHBoc-Glu(Obzl)-OH ,98%BOC-GLUTAMIC ACID(OBZL)-OHBOC-L-GLUTAMIC ACID (OBZL)

237-007-5Boc-Glu(OBzl)-OH13574-13-5Boc-L-glutamic acid 5-benzyl esterMFCD00065569Boc-L-Glutamic acid 5-benzylester5-Benzyl N-(tert-Butoxycarbonyl)-L-glutamate5-Benzyl N-Boc-L-glutamate

データベース識別子

CAS: 13574-13-5
PubChem CID: 83589
DTXSID: DTXSID40883495
UNII: B2P5A7TY2H
EC Number: 237-007-5
Nikkaji: J239.028K

物性

構造計算による物性

XLogP: 2.2
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: 10
重原子数: 24
形式電荷: 0
複雑度: 437

物理化学的性質

融点: 69 · 69-71 °C
比旋光度: -16 · -16 º (c=2, DMF)
沸点: 473.68 °C · 473.68°C (rough estimate)
比重(密度): 1.1452 · 1.1452 (rough estimate)
屈折率: -16.5 ° · -16.5 ° (C=2, DMF)
貯蔵温度: 2 · 2-8°C
溶解性: N,N-ジメチルホルムアミドに可溶。
酸解離定数(Pka): 3.81 · 3.81±0.10(Predicted)
外見: powder to crystal
色: White to Almost white
BRN: 2226572 · 2226572
主な用途: ペプチド合成
InChI: 1S/C17H23NO6/c1-17(2,3)24-16(22)18-13(15(20)21)9-10-14(19)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,20,21)/t13-/m0/s1
InChIKey: AJDUMMXHVCMISJ-ZDUSSCGKSA-N
SMILES: CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(O)=O
CAS データベース: 13574 · 13574-13-5(CAS DataBase Reference)
EPAの化学物質情報: L-Glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 5-(phenylmethyl) ester (13574-13-5)
CAS Number Unlabeled: 56 · 56-86-0

化学的性質

化学的特性white to off-white powder

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): 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)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 3 reports by companies.；There is 1 notification provided by 1 of 3 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.