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250694-07-6 | 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[[(tetradecylamino)carbonyl]amino]-, inner salt, (2R)-
CAS No: 250694-07-6 Catalog No: AG002QD4 MDL No:
Product Description
Catalog Number:
AG002QD4
Chemical Name:
1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[[(tetradecylamino)carbonyl]amino]-, inner salt, (2R)-
CAS Number:
250694-07-6
Molecular Formula:
C22H45N3O3
Molecular Weight:
399.6110
IUPAC Name:
(3R)-3-(tetradecylcarbamoylamino)-4-(trimethylazaniumyl)butanoate
InChI:
InChI=1S/C22H45N3O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23-22(28)24-20(18-21(26)27)19-25(2,3)4/h20H,5-19H2,1-4H3,(H2-,23,24,26,27,28)/t20-/m1/s1
InChI Key:
BMZYTDRMCBZVNH-HXUWFJFHSA-N
SMILES:
CCCCCCCCCCCCCCNC(=O)NC(C[N+](C)(C)C)CC(=O)[O-]
UNII:
8V3VQ6HMII
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
399.346g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
399.62g/mol
Monoisotopic Mass:
399.346g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
Literature
| Title | Journal |
|---|---|
| Carnitine palmitoyltransferase (CPT) modulators: a medicinal chemistry perspective on 35 years of research. | Journal of medicinal chemistry 20110512 |
| Selective reversible inhibition of liver carnitine palmitoyl-transferase 1 by teglicar reduces gluconeogenesis and improves glucose homeostasis. | Diabetes 20110201 |
| Carnitine palmitoyltransferase 2: analysis of membrane association and complex structure with a substrate analog. | FEBS letters 20070710 |
| The crystal structure of carnitine palmitoyltransferase 2 and implications for diabetes treatment. | Structure (London, England : 1993) 20060401 |
| Discovery of a long-chain carbamoyl aminocarnitine derivative, a reversible carnitine palmitoyltransferase inhibitor with antiketotic and antidiabetic activity. | Journal of medicinal chemistry 20030116 |
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