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Caprazene

CAT: 0931-TN7934-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN7934-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
740805-17-8
Target
Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Caprazene is a precursor molecule of semi-synthetic antibacterial antibiotics and an anti-mycobacterial compound used for tuberculosis and Mycobacterium avium complex infection research. It can be isolated from the acid-treated caprazamycin (CPZ) A-G mixture.
Smiles
[C@@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)([C@]2(O[C@H]([C@H](O)[C@@H]2O)N3C(=O)NC(=O)C=C3)[H])[C@]4(C(=O)N(C)C(C(O)=O)=CCN4C)[H]
Molecular Formula
C22H31N5O12
Molecular Weight
557.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Caprazene
CAS Number740805-17-8
PubChem CID68249819
IUPAC Name(2S)-2-[[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxylic acid
Molecular FormulaC22H31N5O12
Molecular Weight557.5
XLogP-7
Topological Polar Surface Area245
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Heavy Atom Count39
Formal Charge0
Complexity1070
SMILES
CN1CC=C(N(C(=O)[C@@H]1C([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O[C@H]4[C@@H]([C@@H]([C@H](O4)CN)O)O)C)C(=O)O
InChI
InChI=1S/C22H31N5O12/c1-25-5-3-8(20(34)35)26(2)18(33)11(25)16(39-21-15(32)12(29)9(7-23)37-21)17-13(30)14(31)19(38-17)27-6-4-10(28)24-22(27)36/h3-4,6,9,11-17,19,21,29-32H,5,7,23H2,1-2H3,(H,34,35)(H,24,28,36)/t9-,11+,12-,13+,14-,15-,16?,17+,19-,21+/m1/s1
InChIKey
NNRRJUQQUMBTMH-LCMDQALXSA-N
Chemical Structure
2D Structure
2D structure of Caprazene
CAS: 740805-17-8
CID: 68249819
Formula: C22H31N5O12
MW: 557.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight557.5
XLogP3-7
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Exact Mass557.19692144
Monoisotopic Mass557.19692144
Topological Polar Surface Area245 Ų
Heavy Atom Count39
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N12823-01Caprazene

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