名称和标识符别名信息物化性质安全信息专业数据库参考参考资料

L-Prolinamide,N-[[(1S,2R)-2-methyl-4-oxocyclopentyl]carbonyl]-L-histidyl- (9CI) | 148152-77-6

L-Prolinamide,N-[[(1S,2R)-2-methyl-4-oxocyclopentyl]carbonyl]-L-histidyl- (9CI)结构式图片|148152-77-6结构式图片

英文名称： L-Prolinamide,N-[[(1S,2R)-2-methyl-4-oxocyclopentyl]carbonyl]-L-histidyl- (9CI)

CAS No.： 148152-77-6

分子式： C₁₈H₂₅N₅O₄

分子量： 375.4222

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：L-Prolinamide,N-[[(1S,2R)-2-methyl-4-oxocyclopentyl]carbonyl]-L-histidyl- (9CI)结构式

PubChem CID： 127299

快速询单

L-Prolinamide,N-[[(1S,2R)-2-methyl-4-oxocyclopentyl]carbonyl]-L-histidyl- (9CI)的其他展现形式

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名称和标识符

InChIKey	MVRLGJKFVUDFCR-UHFFFAOYSA-N
Inchi	InChI=1S/C18H25N5O4/c1-10-5-12(24)7-13(10)17(26)22-14(6-11-8-20-9-21-11)18(27)23-4-2-3-15(23)16(19)25/h8-10,13-15H,2-7H2,1H3,(H2,19,25)(H,20,21)(H,22,26)
SMILES	NC(C1CCCN1C(C(NC(C1CC(=O)CC1C)=O)CC1=CN=CN1)=O)=O

别名信息

- 中文别名 -

- 英文别名 -

L-Prolinamide,N-[[(1S,2R)-2-methyl-4-oxocyclopentyl]carbonyl]-L-histidyl- (9CI)
Jtp-2942
Jtp-2942
Jtp-2942
N(alpha)-(2-Methyl-4-oxocyclopentanecarbonyl)-L-histidyl-L-prolinamide

N(alpha)-(2-Methyl-4-oxocyclopentanecarbonyl)-L-histidyl-L-prolinamide
N(alpha)-(2-Methyl-4-oxocyclopentanecarbonyl)-L-histidyl-L-prolinamide
L-Prolinamide, N-((2-methyl-4-oxocyclopentyl)carbonyl)-L-histidyl-, (1S-cis)-
L-Prolinamide, N-((2-methyl-4-oxocyclopentyl)carbonyl)-L-histidyl-, (1S-cis)-
L-Prolinamide, N-((2-methyl-4-oxocyclopentyl)carbonyl)-L-histidyl-, (1S-cis)-
SCHEMBL194880
SCHEMBL194880
SCHEMBL194880
Jtp 2942
Jtp 2942
Jtp 2942
1-{N-[Hydroxy(2-methyl-4-oxocyclopentyl)methylidene]histidyl}pyrrolidine-2-carboximidic acid
1-{N-[Hydroxy(2-methyl-4-oxocyclopentyl)methylidene]histidyl}pyrrolidine-2-carboximidic acid
1-{N-[Hydroxy(2-methyl-4-oxocyclopentyl)methylidene]histidyl}pyrrolidine-2-carboximidic acid
DTXSID50933319
DTXSID50933319
DTXSID50933319
L-Prolinamide, N-((-methyl-4-oxocyclopentyl)carbonyl)-L-histidyl-, (1S-cis)-
L-Prolinamide, N-((-methyl-4-oxocyclopentyl)carbonyl)-L-histidyl-, (1S-cis)-
L-Prolinamide, N-((-methyl-4-oxocyclopentyl)carbonyl)-L-histidyl-, (1S-cis)-
(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(1S,2R)-2-methyl-4-oxocyclopentanecarbonyl]amino]propanoyl]pyrrolidine-2-carboxamide
(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(1S,2R)-2-methyl-4-oxocyclopentanecarbonyl]amino]propanoyl]pyrrolidine-2-carboxamide
(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(1S,2R)-2-methyl-4-oxocyclopentanecarbonyl]amino]propanoyl]pyrrolidine-2-carboxamide
AKOS040752202
AKOS040752202
AKOS040752202
148152-77-6
148152-77-6
148152-77-6

物化性质

实验特性

PSA	138.25
折射率	1.596
沸点	855.1°C at 760 mmHg
闪点	471°C
颜色与性状	Solid powder
密度	1.346

计算特性

精确分子量	375.19085
氢键供体数量	3
氢键受体数量	4
可旋转化学键数量	6
同位素质量	375.190654
重原子数量	27
复杂度	625
同位素原子数量	0
确定原子立构中心数量	4
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）	_1.7
拓扑分子极性表面积	138

安全信息

储存条件	Dry, dark and store at 0-4℃ for short term (days to weeks) or -20℃ for long term (Store correctly 2-3years).
信号词	Warning

专业数据库参考

PubChemId	127299

参考资料

Reaxys RN

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