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Nikkomycin

CAT: 0931-T25870-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T25870-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
77368-60-6
Target
Others, Antifungal, Antibiotic
Related Pathways
Microbiology/Virology, Others
Bioactivity
Nikkomycin is used as an insecticide.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
MBS5775604Nikkomycin M
GTR19198820-01Nikkomycin J
HY-126780Nikkomycin N
GTR19248924-01Nikkomycin Lx
HY-126872Nikkomycin I
GTR19193349-01Nikkomycin pseudo-J
RM-N132702-01Nikkomycin Impurity 2

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