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Nikkomycin

CAT: 0013-GTR19198821-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198821-01Size:25 mg
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Description
Nikkomycin is a chitin synthase inhibitor employed as an insecticide in agricultural research. This small molecule is also utilized in biochemical studies to investigate fungal cell wall biosynthesis and has applications in both in vitro enzymatic assays and in vivo pest control models.
CAS Number
77368-60-6
Field of Research
Infectious Disease & Virology
Smiles
CC (C (N) C (=O) NC (C1OC (C (O) C1O) n1cc (C=O) [nH]c1=O) C (=O) NC (CCC (O) =O) C (O) =O) C (O) c1ccc (O) cn1
Molecular Formula
C25H32N6O13
Molecular Weight
624.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[[2-[[2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[5-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]pentanedioic acid
CAS Number77368-60-6
PubChem CID3059866
IUPAC Name2-[[2-[[2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methylbutanoyl]amino]-2-[5-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]pentanedioic acid
Molecular FormulaC25H32N6O13
Molecular Weight624.6
XLogP-6.6
Topological Polar Surface Area311
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count15
Rotatable Bond Count14
Heavy Atom Count44
Formal Charge0
Complexity1150
SMILES
CC(C(C1=NC=C(C=C1)O)O)C(C(=O)NC(C2C(C(C(O2)N3C=C(NC3=O)C=O)O)O)C(=O)NC(CCC(=O)O)C(=O)O)N
InChI
InChI=1S/C25H32N6O13/c1-9(17(36)12-3-2-11(33)6-27-12)15(26)21(39)30-16(22(40)29-13(24(41)42)4-5-14(34)35)20-18(37)19(38)23(44-20)31-7-10(8-32)28-25(31)43/h2-3,6-9,13,15-20,23,33,36-38H,4-5,26H2,1H3,(H,28,43)(H,29,40)(H,30,39)(H,34,35)(H,41,42)
InChIKey
LCKTVQPHDUFHML-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[[2-[[2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[5-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]pentanedioic acid
CAS: 77368-60-6
CID: 3059866
Formula: C25H32N6O13
MW: 624.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight624.6
XLogP3-6.6
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count15
Rotatable Bond Count14
Exact Mass624.20273510
Monoisotopic Mass624.20273510
Topological Polar Surface Area311 Ų
Heavy Atom Count44
Formal Charge0
Complexity1150
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count9
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5775602Nikkomycin
HY-N14923Nikkomycin Lz
N081-0.25MGNikkomycin Z
T25872-01Nikkomycin M
HY-126780Nikkomycin N
HY-126873Nikkomycin J
HY-N14922Nikkomycin Lx
HY-126872Nikkomycin I
HY-126946Nikkomycin pseudo-J
RM-N132702-01Nikkomycin Impurity 2

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