Cas no 58813-20-0 (L-Histidine, N-heptyl-)
L-Histidine, N-heptyl- structure
Product Name:L-Histidine, N-heptyl-
CAS No:58813-20-0
MF:C13H23N3O2
MW:253.340623140335
CID:340806
PubChem ID:71443347
Update Time:2025-04-19
L-Histidine, N-heptyl- Chemical and Physical Properties
Names and Identifiers
-
- L-Histidine, N-heptyl-
- (2S)-2-(heptylamino)-3-(1H-imidazol-5-yl)propanoic acid
- DTXSID70852174
- 58813-20-0
- N-Heptyl-L-histidine
- (S)-2-(Heptylamino)-3-(1H-imidazol-4-yl)propanoic acid
-
- Inchi： 1S/C13H23N3O2/c1-2-3-4-5-6-7-15-12(13(17)18)8-11-9-14-10-16-11/h9-10,12,15H,2-8H2,1H3,(H,14,16)(H,17,18)/t12-/m0/s1
- InChI Key： VPDDTMZEKMEHEB-LBPRGKRZSA-N
- SMILES： OC([C@H](CC1=CN=CN1)NCCCCCCC)=O
Computed Properties
- Exact Mass: 253.17919
- Monoisotopic Mass: 253.17902698g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 10
- Complexity: 236
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.2
- Topological Polar Surface Area: 78?2
Experimental Properties
- PSA: 78.01
L-Histidine, N-heptyl- Related Literature
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
58813-20-0 (L-Histidine, N-heptyl-) Related Products
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