Cas no 40216-95-3 (PGLU-HIS-PRO AMIDE ACETATE SALT)
40216-95-3 structure
Product Name:PGLU-HIS-PRO AMIDE ACETATE SALT
CAS No:40216-95-3
MF:C18H26N6O6
MW:422.435643672943
CID:326668
PubChem ID:69031038
Update Time:2025-04-19
PGLU-HIS-PRO AMIDE ACETATE SALT Chemical and Physical Properties
Names and Identifiers
-
- PGLU-HIS-PRO AMIDE ACETATE SALT
- acetic acid,(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
- pGlu-His-Pro amide
- Thyrotropin releasing hormone acetate salt
- AKOS030485975
- pGlu-His-Pro-NH2 Acetate
- AKOS040759053
- F85399
- DTXSID00739560
- Acetic acid--5-oxo-L-prolyl-L-histidyl-L-prolinamide (1/1)
- Protirelin Acetate(24305-27-9 free base)
- (S)-N-((S)-1-((S)-2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamide acetate
- Thyroliberin Acetate
- SCHEMBL4406163
- TRF Acetate
- TRH Acetate
- 40216-95-3
- Lopremone Acetate
- acetic acid;(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
- Thyroliberin acetate salt
-
- Inchi： 1S/C16H22N6O4.C2H4O2/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10;1-2(3)4/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25);1H3,(H,3,4)/t10-,11-,12-;/m0./s1
- InChI Key： UFDPEOAOBPUWFB-LFELFHSZSA-N
- SMILES： O=C([C@H](CC1=CN=CN1)NC([C@@H]1CCC(N1)=O)=O)N1CCC[C@H]1C(N)=O.OC(C)=O
Computed Properties
- Exact Mass: 422.19100
- Monoisotopic Mass: 422.19138257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 30
- Rotatable Bond Count: 6
- Complexity: 628
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 36
- XLogP3: nothing
- Topological Polar Surface Area: 188?2
Experimental Properties
- PSA: 187.58000
- LogP: -0.35930
PGLU-HIS-PRO AMIDE ACETATE SALT Related Literature
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
40216-95-3 (PGLU-HIS-PRO AMIDE ACETATE SALT) Related Products
- 2578-58-7((S)-2-(2-Amino-3-(1H-imidazol-4-yl)propanamido)acetic acid)
- 137235-80-4(Fibrinogen-Binding Peptide)
- 33605-69-5(His-pro-amide)
- 24769-58-2(Thyrotropin-Releasing Hormone (TRH), Free Acid)
- 24305-27-9(TRH)
- 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)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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