N-苄氧羰基-L-亮氨酸

Leucine, N-carboxy-, N-benzyl ester, L-

HCID 74840CAS 2018-66-8

基本信息

标准SMILES: CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)O
InChIKey: USPFMEKVPDBMCG-LBPRGKRZSA-N
分子式: C14H19NO4
平均分子量: 265.3 g/mol
单同位素质量: 265.13140809

概述

N-benzyloxycarbonyl-L-leucine is a L-leucine derivative obtained by the substitution of a benzyloxycarbonyl group on the nitrogen atom. It is a carbamate ester and a L-leucine derivative. It is a conjugate acid of a N-benzyloxycarbonyl-L-leucinate.

名称与标识

首选名称: Leucine, N-carboxy-, N-benzyl ester, L-
IUPAC: (2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
中文名: N-苄氧羰基-L-亮氨酸
英文名: N-Cbz-L-Leucine
分子式: C14H19NO4
分子量: 265.3

名称与别名

N-Benzyloxycarbonyl-L-leucineCarbobenzoxy-L-leucineN-Carbobenzoxy-L-leucineCarbobenzoxyleucineCarbobenzyloxy-L-leucineBenzyloxycarbonylleucineN-BenzyloxycarbonylleucineLeucine, N-carboxy-, N-benzyl ester, L-NSC 60039N-((Phenylmethoxy)carbonyl)-L-leucineN-[(phenylmethoxy)carbonyl]-L-leucineL-N-Carboxyleucine N-benzyl ester

展开更多名称

Z-亮氨酸Z-L-亮氨酸CBZ-L-亮氨酸N-羧基-L-亮氨酸CBZ-L-LEU亮N-CBZ-L-亮氨酸N-苄氧羰基-L-亮氨Z-亮氨酸·二环己胺盐N-苄氧羰基-L-亮氨酸Z-亮氨酸-OH (OIL)CBZ-LEU-OHZ-LEU-OHZ-LEUCBZ-L-LEU-OHN-CARBOBENZYLOXY-L-LEUCINECbz-LeuZ-LEUCINEZ-L-LEU-OHZ-L-LEUCINE

EINECS 217-960-3BRN 1253861L-Leucine, N-((phenylmethoxy)carbonyl)-CHEBI:28282DTXSID801740113-06-00-01503 (Beilstein Handbook Reference)L-Leucine, N-[(phenylmethoxy)carbonyl]-RefChem:798977

数据库标识

CAS: 2018-66-8
PubChem CID: 74840
DTXSID: DTXSID80174011
ChEBI: CHEBI:28282
UNII: P48HHX9XNP
EC Number: 217-960-3
Nikkaji: J71.248E

性质

结构计算性质

XLogP: 2.8
极性表面积: 75.6 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 7
重原子: 19
形式电荷: 0
复杂度: 298

物理化学性质

比旋光度: -17 · -17 º (c=2, ethanol)
沸点: 408.52 °C · 408.52°C (rough estimate)
密度: 1 g/mL · 1 g/mL at 25 °C(lit.)
折射率: 20 · n20/D 1.512(lit.)
闪点: 85 °F · 85 °F
储存条件: 2 · Sealed in dry,2-8°C
溶解度: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
形态: viscous liquid
酸度系数(pKa): 4 · 4.00±0.21(Predicted)
颜色: Colorless to Light yellow
比重: 1 · 1.0
水溶解性: Not miscible or difficult to mix in water. Soluble in chloroform, DMSO and methanol.
BRN: 1253861 · 1253861
主要应用: peptide synthesis
InChI: 1S/C14H19NO4/c1-10(2)8-12(13(16)17)15-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17)/t12-/m0/s1
InChIKey: USPFMEKVPDBMCG-LBPRGKRZSA-N
SMILES: CC(C)C[C@H](NC(=O)OCc1ccccc1)C(O)=O
CAS 数据库: 2018 · 2018-66-8(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 5 条

This chemical does not meet GHS hazard criteria for 60% (3 of 5) of all reports.

Warning

H226 (20%): Flammable liquid and vapor [Warning Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Hazard Classes and CategoriesFlam. Liq. 3 (20%)

安全数据

wgk: 3
RTECS号: OH2921000
安全说明: 16-26-36/37/39-45-36-36/37-60
海关编码: 29242990
危险品标志: Xn
危险类别码: 10-20/22-37/38-40-41-36/37/38-20/21/22-67-63-19
危险品运输编号: UN 1993 3/PG 3

化学与工业

应用领域

用途用于生化试剂，缩宫素等多肽合成。

上下游产品信息

上游原料

下游产品

(S)-4-硝基苯基 2-(((苄氧基)羰基)氨基)-4-甲基戊酸盐 CALPEPTIN

试剂价格

HY-Y0555 · 1 g: N-苄氧羰基-L-亮氨酸N-[(Phenylmethoxy)carbonyl]-L-leucine — 140元
HY-Y0555 · 10 mM * 1 mL in DMSO: N-苄氧羰基-L-亮氨酸N-[(Phenylmethoxy)carbonyl]-L-leucine — 154元