N-苄氧羰基-L-脯氨酸

Benzyloxycarbonyl-L-proline

HCID 101987CAS 1148-11-4

子结构检索查找相似结构

基本信息

标准SMILES: O=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1
InChIKey: JXGVXCZADZNAMJ-NSHDSACASA-N
分子式: C13H15NO4
平均分子量: 249.26 g/mol
单同位素质量: 249.10010796

概述

an inhibitor of prolidase

名称与标识

首选名称: Benzyloxycarbonyl-L-proline
IUPAC: (2S)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
中文名: N-苄氧羰基-L-脯氨酸
英文名: N-Benzyloxycarbonyl-L-proline
分子式: C13H15NO4
分子量: 249.26

名称与别名

1148-11-4CarbobenzoxyprolineBenzyloxycarbonyl-L-prolineCarbobenzoxy-S-prolineCbz-Procbz-prolineH2BS8M5FPP1,2-Pyrrolidinedicarboxylic acid, 1-(phenylmethyl) ester, (S)-DTXSID40150856RefChem:829273DTXCID3073347Z-Pro-OH

展开更多名称

Z-脯氨酸Z-L-脯氨酸CBZ-L-脯氨酸L-CBZ-脯氨酸苄氧羰基-L-脯氨酸CBZ-L-PRO脯N-CBZ-L-脯氨酸N-羰苄氧基-L-嘌呤Z-赖氨酸(Z)-OH1-(苄氧基羰基)脯氨酸CBZ-PRO-OHZ-ProCBZ-L-PROLINECBZ-L-ProZ-L-PRO-OHZ-PROLINECBZ-L-Pro-OH

N-Benzyloxycarbonyl-L-prolineZ-L-ProlineN-CBZ-L-PROLINEN-Carbobenzoxy-L-proline114-11-4BenzyloxycarbonylprolineCarbobenzyloxy-L-prolineMFCD00003170

数据库标识

CAS: 1148-11-4
PubChem CID: 101987
DTXSID: DTXSID40150856
ChEMBL: CHEMBL3276375
UNII: H2BS8M5FPP
EC Number: 214-557-4
Nikkaji: J25.953E

性质

结构计算性质

XLogP: 1.7
极性表面积: 66.8 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 4
重原子: 18
形式电荷: 0
复杂度: 312

物理化学性质

熔点: 75 · 75-77 °C
比旋光度: -60 · -60 º (c=2,AcOH)
沸点: 392.36 °C · 392.36°C (rough estimate)
密度: 1.1952 · 1.1952 (rough estimate)
折射率: -40 ° · -40 ° (C=2, EtOH)
储存条件: Sealed in dry,Room Temperature
溶解度: Solubility in methanol, almost transparency.
酸度系数(pKa): 3.99 · 3.99±0.20(Predicted)
形态: Crystalline Powder or Crystals
颜色: White to off-white
BRN: 88579 · 88579
主要应用: peptide synthesis
InChI: InChI=1S/C13H15NO4/c15-12(16)11-7-4-8-14(11)13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,15,16)/t11-/m0/s1
InChIKey: JXGVXCZADZNAMJ-NSHDSACASA-N
SMILES: N1(C(OCC2=CC=CC=C2)=O)CCC[C@H]1C(O)=O
CAS 数据库: 1148 · 1148-11-4(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 5 条

This chemical does not meet GHS hazard criteria for 37.5% (3 of 8) of reports.

Danger

H315 (37.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Hazard Classes and CategoriesSkin Irrit. 2 (37.5%)

安全数据

wgk: 3
RTECS号: UY0745000
危险等级: IRRITANT
存储类别: 11 - Combustible Solids
安全说明: 22-24/25-36-26
海关编码: 29339900
危险品标志: Xn
危险类别码: 62-36/37/38-20/21/22

化学与工业

应用领域

用途用于生化试剂，缩宫素,增血压素的合成及其它多肽合成。

上下游产品信息

下游产品

试剂价格

B21672 · 250g: N-苄氧羰基-L-脯氨酸, 98+%N-Benzyloxycarbonyl-L-proline, 98+% — 1651元
10837 · 10g: N-苄氧羰基-L-脯氨酸N-Carbobenzyloxy-L-proline, 99%, Thermo Scientific Chemicals — 1422元

供应商50 家

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

扬州旭达生物科技有限公司15161820588; 15161820588 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

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