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Tuberactinomycin A

CAT: 0931-T203740-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T203740-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
33103-21-8
Target
Others
Related Pathways
Others
Bioactivity
Tuberactinomycins are cyclic peptide antibiotics that effectively inhibit protein synthesis in prokaryotic organisms.
Smiles
O=C(N)NC=C1NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CC(N)C(O)CCN)CNC(=O)C(NC1=O)C2NC(=NC(O)C2)N)CO)CO
Molecular Formula
C25H43N13O11
Molecular Weight
701.69
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tuberactinomycin A
CAS Number33103-21-8
PubChem CID135565959
IUPAC Name(3R,4R)-3,6-diamino-N-[(3S,6Z,9S,12S,15S)-3-[(4R,6S)-2-amino-6-hydroxy-1,4,5,6-tetrahydropyrimidin-4-yl]-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]-4-hydroxyhexanamide
Molecular FormulaC25H43N13O11
Molecular Weight701.7
XLogP-7.9
Topological Polar Surface Area413
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count14
Rotatable Bond Count10
Heavy Atom Count49
Formal Charge0
Complexity1310
SMILES
C1[C@@H](N=C(N[C@H]1O)N)[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]([C@@H](CCN)O)N
InChI
InChI=1S/C25H43N13O11/c26-2-1-15(41)9(27)3-16(42)32-11-5-30-23(48)18(10-4-17(43)37-24(28)36-10)38-20(45)12(6-31-25(29)49)33-21(46)13(7-39)35-22(47)14(8-40)34-19(11)44/h6,9-11,13-15,17-18,39-41,43H,1-5,7-8,26-27H2,(H,30,48)(H,32,42)(H,33,46)(H,34,44)(H,35,47)(H,38,45)(H3,28,36,37)(H3,29,31,49)/b12-6-/t9-,10-,11+,13+,14+,15-,17+,18+/m1/s1
InChIKey
JCTPGOAHEVLZAB-PRPOONDPSA-N
Chemical Structure
2D Structure
2D structure of Tuberactinomycin A
CAS: 33103-21-8
CID: 135565959
Formula: C25H43N13O11
MW: 701.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight701.7
XLogP3-7.9
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count14
Rotatable Bond Count10
Exact Mass701.32049924
Monoisotopic Mass701.32049924
Topological Polar Surface Area413 Ų
Heavy Atom Count49
Formal Charge0
Complexity1310
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19240912-01Tuberactinomycin A
GTR19241948-01Tuberactinomycin-O

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