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GGTI-2133

CAT: 0024-sc-221668ASize: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-221668ASize:5 mg
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CAS Number
1217480-14-2

Chemical Information

Ggti-2133

an inhibitor of geranylgeranyltransferase, inhibits infiltration of inflammatory cells into airways in mouse experimental asthma

CAS Number1217480-14-2
PubChem CID16078972
IUPAC Name(2S)-2-[[4-(1H-imidazol-5-ylmethylamino)-2-naphthalen-1-ylbenzoyl]amino]-4-methylpentanoic acid;2,2,2-trifluoroacetic acid
Molecular FormulaC29H29F3N4O5
Molecular Weight570.6
Topological Polar Surface Area144
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count41
Formal Charge0
Complexity770
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2)C3=CC=CC4=CC=CC=C43.C(=O)(C(F)(F)F)O
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
InChIKey
FXXUNOYBYJFSRB-UQIIZPHYSA-N
Chemical Structure
2D Structure
2D structure of Ggti-2133
CAS: 1217480-14-2
CID: 16078972
Formula: C29H29F3N4O5
MW: 570.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight570.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass570.20900452
Monoisotopic Mass570.20900452
Topological Polar Surface Area144 Ų
Heavy Atom Count41
Formal Charge0
Complexity770
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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