Cas no 55536-95-3 (b-Alaninamide,5-oxo-L-prolyl-L-histidyl-L-prolyl- (9CI))
55536-95-3 structure
Product Name:b-Alaninamide,5-oxo-L-prolyl-L-histidyl-L-prolyl- (9CI)
CAS No:55536-95-3
MF:C19H27N7O5
MW:433.461583375931
CID:367497
PubChem ID:193999
Update Time:2025-04-19
b-Alaninamide,5-oxo-L-prolyl-L-histidyl-L-prolyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- b-Alaninamide,5-oxo-L-prolyl-L-histidyl-L-prolyl- (9CI)
- 2-[(2-fluorophenyl)methylsulfanyl]-4,6-dimethylpyrimidine
- thyrotropin-releasing hormone, linear beta-Ala-
- beta-Alaninamide, 5-oxo-L-prolyl-L-histidyl-L-prolyl-
- Pglu-his-pro-beta-ala-NH2
- DTXSID80970878
- 5-Hydroxy-N-[1-(2-{hydroxy[(3-hydroxy-3-iminopropyl)imino]methyl}pyrrolidin-1-yl)-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]-3,4-dihydro-2H-pyrrole-2-carboximidic acid
- 55536-95-3
- Pyroglutamyl-histidyl-prolyl-beta-alaninamide
-
- Inchi： 1S/C19H27N7O5/c20-15(27)5-6-22-18(30)14-2-1-7-26(14)19(31)13(8-11-9-21-10-23-11)25-17(29)12-3-4-16(28)24-12/h9-14H,1-8H2,(H2,20,27)(H,22,30)(H,24,28)(H,25,29)/t11?,12-,13-,14-/m0/s1
- InChI Key： VDIHZVSUBVGORU-LNIMBWABSA-N
- SMILES： O=C([C@H](CC1C=NC=N1)NC([C@@H]1CCC(N1)=O)=O)N1CCC[C@H]1C(NCCC(N)=O)=O
Computed Properties
- Exact Mass: 433.20761
- Monoisotopic Mass: 433.20736699g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 31
- Rotatable Bond Count: 9
- Complexity: 812
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -3.1
- Topological Polar Surface Area: 175?2
Experimental Properties
- PSA: 175.42
b-Alaninamide,5-oxo-L-prolyl-L-histidyl-L-prolyl- (9CI) Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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