Cas no 54865-20-2 (L-Leucine, L-alanyl-L-alanyl-)
L-Leucine, L-alanyl-L-alanyl- structure
Product Name:L-Leucine, L-alanyl-L-alanyl-
CAS No:54865-20-2
MF:C12H23N3O4
MW:273.328723192215
CID:1590877
PubChem ID:44298630
Update Time:2025-04-21
L-Leucine, L-alanyl-L-alanyl- Chemical and Physical Properties
Names and Identifiers
-
- L-Leucine, L-alanyl-L-alanyl-
- (2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-4-methylpentanoic acid
- L-Leucine,L-alanyl-L-alanyl
- Ala-Ala-Leu
- DTXSID80658220
- 54865-20-2
- CHEBI:157925
- Alanyl-alanyl-leucine
- l alanyl l alanyl l leucine
- SCHEMBL15443060
- CHEMBL55904
- L-Alanyl-L-alanyl-L-leucine
-
- Inchi： 1S/C12H23N3O4/c1-6(2)5-9(12(18)19)15-11(17)8(4)14-10(16)7(3)13/h6-9H,5,13H2,1-4H3,(H,14,16)(H,15,17)(H,18,19)/t7-,8-,9-/m0/s1
- InChI Key： LJTZPXOCBZRFBH-CIUDSAMLSA-N
- SMILES： OC([C@H](CC(C)C)NC([C@H](C)NC([C@H](C)N)=O)=O)=O
Computed Properties
- Exact Mass: 273.16900
- Monoisotopic Mass: 273.169
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 7
- Complexity: 344
- 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: _3.4
- Topological Polar Surface Area: 122A^2
Experimental Properties
- PSA: 128.50000
- LogP: 1.83470
L-Leucine, L-alanyl-L-alanyl- Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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