Cas no 98594-94-6 (Alanine, N-(3,6-dioxo-2-piperazinylcarbonyl)- (6CI))
98594-94-6 structure
Product Name:Alanine, N-(3,6-dioxo-2-piperazinylcarbonyl)- (6CI)
CAS No:98594-94-6
MF:C8H11N3O5
MW:229.190041780472
CID:1002593
Update Time:2024-02-06
Alanine, N-(3,6-dioxo-2-piperazinylcarbonyl)- (6CI) Chemical and Physical Properties
Names and Identifiers
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- Alanine, N-(3,6-dioxo-2-piperazinylcarbonyl)- (6CI)
- N-(3,6-dioxo-piperazine-2-carbonyl)-alanine
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- Inchi： 1S/C8H11N3O5/c1-3(8(15)16)10-7(14)5-6(13)9-2-4(12)11-5/h3,5H,2H2,1H3,(H,9,13)(H,10,14)(H,11,12)(H,15,16)/t3-,5?/m0/s1
- InChI Key： CBZZWOYIYIQFBN-WWLRPLJCSA-N
- SMILES： C(O)(=O)[C@H](C)NC(C1C(=O)NCC(=O)N1)=O
Computed Properties
- Exact Mass: 229.07
- Monoisotopic Mass: 229.07
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 354
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 125A^2
Alanine, N-(3,6-dioxo-2-piperazinylcarbonyl)- (6CI) Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
98594-94-6 (Alanine, N-(3,6-dioxo-2-piperazinylcarbonyl)- (6CI)) Related Products
- 923-16-0(D-Alanyl-D-Alanine)
- 2392-61-2(L-Alanyl-L-alanine)
- 1115-78-2(H-D-Ala-Ala-OH)
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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