Cas no 76739-51-0 (2-Oxiranecarboxylicacid,3-[[[(1S)-1-[[(4-aminobutyl)amino]carbonyl]-3-methylbutyl]amino]carbonyl]-,(2S,3S)-)
![2-Oxiranecarboxylicacid,3-[[[(1S)-1-[[(4-aminobutyl)amino]carbonyl]-3-methylbutyl]amino]carbonyl]-,(2S,3S)- structure](https://ossimg.kuujia.com/scimg/77000/76739-51-0x500.png)
76739-51-0 structure
Product Name:2-Oxiranecarboxylicacid,3-[[[(1S)-1-[[(4-aminobutyl)amino]carbonyl]-3-methylbutyl]amino]carbonyl]-,(2S,3S)-
CAS No:76739-51-0
MF:C14H25N3O5
MW:315.36540389061
CID:571838
PubChem ID:173548
Update Time:2025-04-19
2-Oxiranecarboxylicacid,3-[[[(1S)-1-[[(4-aminobutyl)amino]carbonyl]-3-methylbutyl]amino]carbonyl]-,(2S,3S)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Oxiranecarboxylicacid,3-[[[(1S)-1-[[(4-aminobutyl)amino]carbonyl]-3-methylbutyl]amino]carbonyl]-,(2S,3S)-
- (2S,3S)-3-[[(2S)-1-(4-aminobutylamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid
- EP 459
- SCHEMBL11067480
- E-64a
- 76739-51-0
- EP-459
- E 64a
- Oxiranecarboxylic acid, 3-(((1-(((4-aminobutyl)amino)carbonyl)-3-methylbutyl)amino)carbonyl)-, (2S-(2alpha,3beta(R*)))-
- DTXSID80227556
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- Inchi： 1S/C14H25N3O5/c1-8(2)7-9(12(18)16-6-4-3-5-15)17-13(19)10-11(22-10)14(20)21/h8-11H,3-7,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)/t9-,10-,11-/m0/s1
- InChI Key： AVTVMICMSRMLMA-DCAQKATOSA-N
- SMILES： O1[C@H](C(=O)O)[C@H]1C(N[C@H](C(NCCCCN)=O)CC(C)C)=O
Computed Properties
- Exact Mass: 315.17942091g/mol
- Monoisotopic Mass: 315.17942091g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 10
- Complexity: 413
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.6
- Topological Polar Surface Area: 134?2
2-Oxiranecarboxylicacid,3-[[[(1S)-1-[[(4-aminobutyl)amino]carbonyl]-3-methylbutyl]amino]carbonyl]-,(2S,3S)- Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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