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Althiomycin

CAT: 0926-MAA65640-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-MAA65640-05Size:50 mg
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CAS Number
12656-40-5
MDL Number
MFCD01681520
Smiles
CCOC (=O) CSC1=NNC (=S) S1
Molecular Formula
C16H17N5O6S2
Molecular Weight
439.50 g/mol
Controlled
No

Chemical Information

CID 135488978

Althiomycin is a peptide antibiotic isolated from soil and enteric bacteria. It is a protein synthesis inhibitor which exhibits antibacterial activity against both Gram-positive and Gram-negative bacteria. It has a role as an antibacterial agent, a protein synthesis inhibitor and a bacterial metabolite. It is a secondary carboxamide, a tertiary carboxamide, a primary alcohol, an aldoxime, a pyrroline, an ether, a peptide antibiotic, a member of 1,3-thiazoles and a gamma-lactam.

CAS Number12656-40-5
PubChem CID135488978
IUPAC Name2-[(E)-hydroxyiminomethyl]-N-[2-hydroxy-1-[(4S)-4-(3-methoxy-5-oxo-2H-pyrrole-1-carbonyl)-4,5-dihydro-1,3-thiazol-2-yl]ethyl]-1,3-thiazole-4-carboxamide
Molecular FormulaC16H17N5O6S2
Molecular Weight439.5
XLogP-0.6
Topological Polar Surface Area207
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity773
SMILES
COC1=CC(=O)N(C1)C(=O)[C@H]2CSC(=N2)C(CO)NC(=O)C3=CSC(=N3)/C=N/O
InChI
InChI=1S/C16H17N5O6S2/c1-27-8-2-13(23)21(4-8)16(25)11-7-29-15(20-11)9(5-22)19-14(24)10-6-28-12(18-10)3-17-26/h2-3,6,9,11,22,26H,4-5,7H2,1H3,(H,19,24)/b17-3+/t9?,11-/m1/s1
InChIKey
VQQNQKXWJMRPHT-GMLCBOFYSA-N
Chemical Structure
2D Structure
2D structure of CID 135488978
CAS: 12656-40-5
CID: 135488978
Formula: C16H17N5O6S2
MW: 439.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.5
XLogP3-0.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass439.06202563
Monoisotopic Mass439.06202563
Topological Polar Surface Area207 Ų
Heavy Atom Count29
Formal Charge0
Complexity773
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-119894Althiomycin

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