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1217480-14-2 | N-[4-[(1H-imidazol-5-ylmethyl)amino]-2-(1-naphthalenyl)benzoyl]-L-leucine,2,2,2-trifluoroacetatesalt
CAS No: 1217480-14-2 Catalog No: AG01FL4S MDL No:
Product Description
Catalog Number:
AG01FL4S
Chemical Name:
N-[4-[(1H-imidazol-5-ylmethyl)amino]-2-(1-naphthalenyl)benzoyl]-L-leucine,2,2,2-trifluoroacetatesalt
CAS Number:
1217480-14-2
Molecular Formula:
C29H29F3N4O5
Molecular Weight:
570.5596
IUPAC Name:
(2S)-2-[[4-(1H-imidazol-5-ylmethylamino)-2-naphthalen-1-ylbenzoyl]amino]-4-methylpentanoic acid;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C27H28N4O3.C2HF3O2/c1-17(2)12-25(27(33)34)31-26(32)23-11-10-19(29-15-20-14-28-16-30-20)13-24(23)22-9-5-7-18-6-3-4-8-21(18)22;3-2(4,5)1(6)7/h3-11,13-14,16-17,25,29H,12,15H2,1-2H3,(H,28,30)(H,31,32)(H,33,34);(H,6,7)/t25-;/m0./s1
InChI Key:
FXXUNOYBYJFSRB-UQIIZPHYSA-N
SMILES:
OC(=O)C(F)(F)F.CC(C[C@@H](C(=O)O)NC(=O)c1ccc(cc1c1cccc2c1cccc2)NCc1c[nH]cn1)C
Properties
Complexity:
770
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
570.209g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
570.569g/mol
Monoisotopic Mass:
570.209g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Protein prenylation contributes to the effects of LPS on EFS-induced responses in human isolated bronchi. | American journal of respiratory cell and molecular biology 20111001 |
| GGTI-2133, an inhibitor of geranylgeranyltransferase, inhibits infiltration of inflammatory cells into airways in mouse experimental asthma. | International journal of immunopathology and pharmacology 20090101 |
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