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Nikkomycin pseudo-J

CAT: 0804-HY-126946Size: InquireDry Ice: NoHazardous: No
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CAS Number
120796-22-7
UNSPSC Description
Nikkomycin pseudo-J is a tripeptide derivative of the nikkomycin class found in Streptomyces tendae, which has antifungal and antiinsect activities. Nikkomycin pseudo-J exerts its biological activity by competitively inhibiting chitin synthetase of fungi and insects[1].
Target Antigen
Fungal
Type
Natural Products
Related Pathways
Anti-infection
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/nikkomycin-pseudo-j.html
Smiles
O=C(O)CC[C@H](C(O)=O)NC(C(C1O[C@H](C2=CNC(NC2=O)=O)[C@@H](O)[C@H]1O)NC([C@H]([C@H](C)[C@H](O)C3=NC=C(O)C=C3)N)=O)=O
Molecular Weight
624.55
References & Citations
[1]DECKER, et al. METABOLIC PRODUCTS OF MICROORGANISMS. 252 ISOLATION OF NEW NIKKOMYCINS FROM STREPTOMYCES TENDAE. The Journal of Antibiotics 42.2 (1989): 230-235.
Shipping Conditions
Room temperature
Clinical Information
No Development Reported

Chemical Information

nikkomycin pseudo-J

Nikkomycin pseudo-J is a peptide.

CAS Number120796-22-7
PubChem CID139588950
IUPAC Name(2R)-2-[[(2R)-2-[[(2R,3R,4R)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methylbutanoyl]amino]-2-[(2S,3S,4R,5R)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]pentanedioic acid
Molecular FormulaC25H32N6O13
Molecular Weight624.6
XLogP-6.9
Topological Polar Surface Area320
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count15
Rotatable Bond Count13
Heavy Atom Count44
Formal Charge0
Complexity1170
SMILES
C[C@@H]([C@H](C1=NC=C(C=C1)O)O)[C@H](C(=O)N[C@H]([C@H]2[C@H]([C@H]([C@H](O2)C3=CNC(=O)NC3=O)O)O)C(=O)N[C@H](CCC(=O)O)C(=O)O)N
InChI
InChI=1S/C25H32N6O13/c1-8(16(35)11-3-2-9(32)6-27-11)14(26)22(39)30-15(23(40)29-12(24(41)42)4-5-13(33)34)20-18(37)17(36)19(44-20)10-7-28-25(43)31-21(10)38/h2-3,6-8,12,14-20,32,35-37H,4-5,26H2,1H3,(H,29,40)(H,30,39)(H,33,34)(H,41,42)(H2,28,31,38,43)/t8-,12-,14-,15-,16-,17-,18+,19-,20+/m1/s1
InChIKey
ZWCOQJINVKEJCM-PEHXEKCSSA-N
Chemical Structure
2D Structure
2D structure of nikkomycin pseudo-J
CAS: 120796-22-7
CID: 139588950
Formula: C25H32N6O13
MW: 624.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight624.6
XLogP3-6.9
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count15
Rotatable Bond Count13
Exact Mass624.20273510
Monoisotopic Mass624.20273510
Topological Polar Surface Area320 Ų
Heavy Atom Count44
Formal Charge0
Complexity1170
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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