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Syringolin B

CAT: 0931-T125254-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T125254-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
235096-66-9
Target
Others
Related Pathways
Others
Bioactivity
Syringolin B is a useful organic compound for research related to life sciences. The catalog number is T125254 and the CAS number is 235096-66-9.
Smiles
CC(C)C(NC(=O)NC(C(C)C)C(=O)NC1CCCCNC(=O)\C=C\C(NC1=O)C(C)C)C(O)=O
Molecular Formula
C24H41N5O6
Molecular Weight
495.621
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[[1-[[(3E)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododec-3-en-8-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3-methylbutanoic acid
CAS Number235096-66-9
PubChem CID145872413
IUPAC Name2-[[1-[[(3E)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododec-3-en-8-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3-methylbutanoic acid
Molecular FormulaC24H41N5O6
Molecular Weight495.6
XLogP2.3
Topological Polar Surface Area166
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity795
SMILES
CC(C)C1/C=C/C(=O)NCCCCC(C(=O)N1)NC(=O)C(C(C)C)NC(=O)NC(C(C)C)C(=O)O
InChI
InChI=1S/C24H41N5O6/c1-13(2)16-10-11-18(30)25-12-8-7-9-17(21(31)26-16)27-22(32)19(14(3)4)28-24(35)29-20(15(5)6)23(33)34/h10-11,13-17,19-20H,7-9,12H2,1-6H3,(H,25,30)(H,26,31)(H,27,32)(H,33,34)(H2,28,29,35)/b11-10+
InChIKey
AIMDTYKFJMYVNG-ZHACJKMWSA-N
Chemical Structure
2D Structure
2D structure of 2-[[1-[[(3E)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododec-3-en-8-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3-methylbutanoic acid
CAS: 235096-66-9
CID: 145872413
Formula: C24H41N5O6
MW: 495.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight495.6
XLogP32.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass495.30568404
Monoisotopic Mass495.30568404
Topological Polar Surface Area166 Ų
Heavy Atom Count35
Formal Charge0
Complexity795
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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