Cas no 181372-99-6 (N~2~-[(2E,4Z)-4-(2-hexyl-2,3,4,4a-tetrahydrocyclopenta[b]oxireno[c]pyridin-7(1aH)-ylidene)but-2-enoyl]-L-glutamine)
![N~2~-[(2E,4Z)-4-(2-hexyl-2,3,4,4a-tetrahydrocyclopenta[b]oxireno[c]pyridin-7(1aH)-ylidene)but-2-enoyl]-L-glutamine structure](https://ossimg.kuujia.com/scimg/181500/181372-99-6x500.png)
181372-99-6 structure
Product Name:N~2~-[(2E,4Z)-4-(2-hexyl-2,3,4,4a-tetrahydrocyclopenta[b]oxireno[c]pyridin-7(1aH)-ylidene)but-2-enoyl]-L-glutamine
CAS No:181372-99-6
MF:C23H33N3O5
MW:431.525226354599
CID:1380803
PubChem ID:6449105
Update Time:2025-04-20
N~2~-[(2E,4Z)-4-(2-hexyl-2,3,4,4a-tetrahydrocyclopenta[b]oxireno[c]pyridin-7(1aH)-ylidene)but-2-enoyl]-L-glutamine Chemical and Physical Properties
Names and Identifiers
-
- N~2~-[(2E,4Z)-4-(2-hexyl-2,3,4,4a-tetrahydrocyclopenta[b]oxireno[c]pyridin-7(1aH)-ylidene)but-2-enoyl]-L-glutamine
- Epostatin
- (2S)-5-amino-2-[[(E,4Z)-4-(4-hexyl-2-oxa-6-azatricyclo[5.3.0.01,3]dec-8-en-10-ylidene)but-2-enoyl]amino]-5-oxopentanoic acid
- L-Glutamine, N(sup 2)-(4-(2-hexyl-2,3,4,4a-tetrahydrocyclopent(b)oxireno(c)pyridin-7(1aH)-ylidene)-1-oxo-2-butenyl)-
- 181372-99-6
-
- Inchi： 1S/C23H33N3O5/c1-2-3-4-5-7-15-14-25-18-12-10-16(23(18)21(15)31-23)8-6-9-20(28)26-17(22(29)30)11-13-19(24)27/h6,8-10,12,15,17-18,21,25H,2-5,7,11,13-14H2,1H3,(H2,24,27)(H,26,28)(H,29,30)/b9-6+,16-8-/t15?,17-,18?,21?,23?/m0/s1
- InChI Key： GUSMHFARJHQRFN-RFRNJRKISA-N
- SMILES： O1C2C(CCCCCC)CNC3C=C/C(=C/C=C/C(N[C@H](C(=O)O)CCC(N)=O)=O)/C123
Computed Properties
- Exact Mass: 431.24219
- Monoisotopic Mass: 431.242021
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 31
- Rotatable Bond Count: 12
- Complexity: 790
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 134
- XLogP3: -0.8
Experimental Properties
- Density: 1.25
- Boiling Point: 764.6°C at 760 mmHg
- Flash Point: 416.2°C
- Refractive Index: 1.589
- PSA: 134.05
N~2~-[(2E,4Z)-4-(2-hexyl-2,3,4,4a-tetrahydrocyclopenta[b]oxireno[c]pyridin-7(1aH)-ylidene)but-2-enoyl]-L-glutamine Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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