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Pyridomycin

CAT: 0931-T37070Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T37070Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
18791-21-4
Target
Others, Antibiotic, Antibacterial
Related Pathways
Others, Microbiology/Virology
Bioactivity
Pyridomycin is a structurally unusual antimycobacterial cyclodepsipeptide whose composition includes two rare moieties: 3- (3-pyridyl) -L-alanine and 2-hydroxy-3-methylpent-2-enoic acid. It inhibits NADH-dependent enoyl (Acyl-Carrier-Protein) reductase InhA, preventing mycolic acid synthesis in M. tuberculosis, including isoniazid-resistant strains (MICs = 0.31-0.63 μg/ml) .
Smiles
C([C@@H]1NC(=O)[C@@H](NC(=O)C2=C(O)C=CC=N2)[C@@H](C)OC(=O)\C(=C(\CC)/C)\OC(=O)[C@H](C)[C@@H]1O)C=3C=CC=NC3
Molecular Formula
C27H32N4O8
Molecular Weight
540.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-Hydroxy-N-((2Z,5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-2-(1-methylpropylidene)-3,7,12-trioxo-9-(3-pyridinylmethyl)-1,4-dioxa-8-azacyclododec-6-yl)-2-pyridinecarboxamide

extract of Streptomyces

CAS Number18791-21-4
PubChem CID3037036
IUPAC NameN-[(2Z,5R,6S,9S,10S,11R)-2-butan-2-ylidene-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-3-hydroxypyridine-2-carboxamide
Molecular FormulaC27H32N4O8
Molecular Weight540.6
XLogP2.8
Topological Polar Surface Area177
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count39
Formal Charge0
Complexity941
SMILES
CC/C(=C\1/C(=O)O[C@@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)O1)C)O)CC2=CN=CC=C2)NC(=O)C3=C(C=CC=N3)O)C)/C
InChI
InChI=1S/C27H32N4O8/c1-5-14(2)23-27(37)38-16(4)20(31-25(35)21-19(32)9-7-11-29-21)24(34)30-18(12-17-8-6-10-28-13-17)22(33)15(3)26(36)39-23/h6-11,13,15-16,18,20,22,32-33H,5,12H2,1-4H3,(H,30,34)(H,31,35)/b23-14-/t15-,16-,18+,20+,22+/m1/s1
InChIKey
WHIKSLGSXKIHCA-IGCCMALHSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxy-N-((2Z,5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-2-(1-methylpropylidene)-3,7,12-trioxo-9-(3-pyridinylmethyl)-1,4-dioxa-8-azacyclododec-6-yl)-2-pyridinecarboxamide
CAS: 18791-21-4
CID: 3037036
Formula: C27H32N4O8
MW: 540.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight540.6
XLogP32.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass540.22201399
Monoisotopic Mass540.22201399
Topological Polar Surface Area177 Ų
Heavy Atom Count39
Formal Charge0
Complexity941
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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