N-乙酰-L-脯氨酸 | 68-95-1
中文名称:
N-乙酰-L-脯氨酸
英文名称:
N-Acetyl-L-proline
CAS No.:
68-95-1
分子式:
C7 H1 1 NO3
分子量:
157.1671
名称和标识符
MDL
MFCD00020837
InChIKey
GNMSLDIYJOSUSW-LURJTMIESA-N
Inchi
1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m0/s1
SMILES
O([H])C([C@]1([H])C([H])([H])C([H])([H])C([H])([H])N1C(C([H])([H])[H])=O)=O
BRN
83200
别名信息
- 中文别名 -
N-乙酰-L-脯氨酸
N-乙酰-脯氨酸
N-乙酰基-L-脯氨酸
- 英文别名 -
N-Acetyl-L-proline
Ac-Pro-OH
(2S)-1-acetylpyrrolidine-2-carboxylic acid
(S)-1-ACETYL-PYRROLIDINE-2-CARBOXYLIC ACID
N-Acethyl-L-proline
Proline,1-acetyl-, L- (6CI,7CI,8CI)
(S)-(-)-N-Acetylproline
(S)-N-Acetylproline
1-Acetylproline
L-N-Acetylproline
N-Acetylproline
NSC280718
Acetylproline
1-Acetyl-L-proline
Acetyl proline
L-Proline, 1-acetyl-
(S)-1-acetylpyrrolidine-2-carboxylic acid
Acetyl-L-Proline
CC8XZ138VZ
L-Proline, 1-acetyl- (9CI)
GNMSLDIYJOSUSW-LURJTMIESA-N
N7P
Proline, 1-acetyl-, L-
acetyl-proline
4avs
N-Acetyl Proline
1-Ace
物化性质
实验特性
LogP
0.01980
PSA
57.61000
沸点
366.2℃ at 760 mmHg
熔点
115-117 ºC
闪点
175.3℃
颜色与性状
白色针状结晶
溶解性
不确定
比旋光度
-86 º (c=1 EtOH)
密度
1.2740
计算特性
精确分子量
157.07400
氢键供体数量
1
氢键受体数量
3
可旋转化学键数量
1
同位素质量
157.074
重原子数量
11
复杂度
190
同位素原子数量
0
确定原子立构中心数量
1
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
-0.7
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
57.6
海关数据
海关编码
2933990090
海关数据
中国海关编码:
2933990090
概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
相关文献
1.
A study of the cis/trans isomerism of N-acetyl-L-proline in aqueous solution by 17O n.m.r. spectroscopy
Jürgen Lauterwein,Ioannis P. Gerothanassis,Roger N. Hunston J. Chem. Soc. Chem. Commun. 1984 367
2.
The enzymes of β-lactam biosynthesis
Refaat B. Hamed,J. Ruben Gomez-Castellanos,Luc Henry,Christian Ducho,Michael A. McDonough,Christopher J. Schofield Nat. Prod. Rep. 2013 30 21
3.
Synthesis and characterisation of some new N-nitrosodipeptides
Brian C. Challis,Jamie R. Milligan,Robert C. Mitchell J. Chem. Soc. Perkin Trans. 1 1990 3103
4.
Cytotoxic properties of rhenium(i) tricarbonyl complexes of N-heterocyclic carbene ligands
Nuchareenat Wiratpruk,Guneet K. Bindra,Alex Hamilton,Mark D. Hulett,Peter J. Barnard Dalton Trans. 2022 51 7630
5.
A simple method for determining the ligand affinity toward a zinc-enzyme model by using a TAMRA/TAMRA interaction
Hiroshi Kusamoto,Akio Shiba,Masaya Tsunehiro,Haruto Fujioka,Emiko Kinoshita-Kikuta,Eiji Kinoshita,Tohru Koike Dalton Trans. 2018 47 1841
6.
Energetic contribution to both acidity and conformational stability in peptide models
Vladimir Kubyshkin,Patrick Durkin,Nediljko Budisa New J. Chem. 2016 40 5209
7.
Decomposition of N-nitrosopeptides in strong acids
Brian C. Challis,Jamie R. Milligan,Robert C. Mitchell J. Chem. Soc. Perkin Trans. 2 1991 1595
8.
Antibiotics from Gram-negative bacteria: a comprehensive overview and selected biosynthetic highlights
J. Masschelein,M. Jenner,G. L. Challis Nat. Prod. Rep. 2017 34 712
9.
Conformational preferences of N-acetyl-N′-methylprolineamide in different media: a 1H NMR and theoretical investigation
Carolyne B. Braga,Weslley G. D. P. Silva,Roberto Rittner New J. Chem. 2019 43 1757
10.
Comparative effects of trifluoromethyl- and methyl-group substitutions in proline
Vladimir Kubyshkin,Stanislav Pridma,Nediljko Budisa New J. Chem. 2018 42 13461
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