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Tuberactinomycin-O

CAT: 0013-GTR19241948-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241948-02Size:10 mg
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Description
Tuberactinomycin compounds, derived from Streptomyces puniceus, are essential anti-tuberculosis agents that inhibit bacterial protein synthesis by targeting ribosomal RNA. They are used in research to study prokaryotic translation inhibition and have been evaluated in both in vitro and in vivo models of Mycobacterium tuberculosis infection.
CAS Number
33137-73-4
Smiles
O=C1[C@] ([C@@]2 (NC (N) =NCC2) [H]) (NC (=O) \C (=C\NC (N) =O) \NC (=O) [C@H] (CO) NC (=O) [C@H] (CO) NC (=O) [C@@H] (NC (C[C@H] (CCCN) N) =O) CN1) [H]
Molecular Formula
C25H43N13O9
Molecular Weight
669.69
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tuberactinomycin-O

Tuberactinomycin O is a cyclic peptide.

CAS Number33137-73-4
PubChem CID139589198
IUPAC Name(3S)-3,6-diamino-N-[(3R,6E,9S,12R,15R)-3-[(6S)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]hexanamide
Molecular FormulaC25H43N13O9
Molecular Weight669.7
XLogP-6.4
Topological Polar Surface Area373
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Heavy Atom Count47
Formal Charge0
Complexity1240
SMILES
C1CN=C(N[C@@H]1[C@@H]2C(=O)NC[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N/C(=C/NC(=O)N)/C(=O)N2)CO)CO)NC(=O)C[C@H](CCCN)N)N
InChI
InChI=1S/C25H43N13O9/c26-4-1-2-11(27)6-17(41)33-13-7-31-23(46)18(12-3-5-30-24(28)37-12)38-20(43)14(8-32-25(29)47)34-21(44)15(9-39)36-22(45)16(10-40)35-19(13)42/h8,11-13,15-16,18,39-40H,1-7,9-10,26-27H2,(H,31,46)(H,33,41)(H,34,44)(H,35,42)(H,36,45)(H,38,43)(H3,28,30,37)(H3,29,32,47)/b14-8+/t11-,12-,13+,15-,16+,18+/m0/s1
InChIKey
IJLXXTHFOUHWGE-UYVOBHQYSA-N
Chemical Structure
2D Structure
2D structure of Tuberactinomycin-O
CAS: 33137-73-4
CID: 139589198
Formula: C25H43N13O9
MW: 669.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight669.7
XLogP3-6.4
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Exact Mass669.33067000
Monoisotopic Mass669.33067000
Topological Polar Surface Area373 Ų
Heavy Atom Count47
Formal Charge0
Complexity1240
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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T202590-01Tuberactinomycin-O
T203740-01Tuberactinomycin A
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TRC-T777010-1GO,O',O''-Triethyl Phosphorothioate
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OR95833-01O, O, O-Trimethyl phosphorothioate
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