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Syringolin C

CAT: 0013-GTR19229290-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19229290-02Size:2 mg
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Description
Syringolin C
CAS Number
235096-67-0
Smiles
CCC (C) C (NC (=O) NC (C (C) C) C (O) =O) C (=O) NC1\C=C\CCNC (=O) \C=C\C (NC1=O) C (C) C
Molecular Formula
C25H41N5O6
Molecular Weight
507.632
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 129009017
CAS Number235096-67-0
PubChem CID129009017
IUPAC Name2-[[1-[[(3E,9E)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoylamino]-3-methylbutanoic acid
Molecular FormulaC25H41N5O6
Molecular Weight507.6
XLogP2.6
Topological Polar Surface Area166
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity854
SMILES
CCC(C)C(C(=O)NC1/C=C/CCNC(=O)/C=C/C(NC1=O)C(C)C)NC(=O)NC(C(C)C)C(=O)O
InChI
InChI=1S/C25H41N5O6/c1-7-16(6)21(30-25(36)29-20(15(4)5)24(34)35)23(33)28-18-10-8-9-13-26-19(31)12-11-17(14(2)3)27-22(18)32/h8,10-12,14-18,20-21H,7,9,13H2,1-6H3,(H,26,31)(H,27,32)(H,28,33)(H,34,35)(H2,29,30,36)/b10-8+,12-11+
InChIKey
AXZPAGVFIVOODG-REVVXPLQSA-N
Chemical Structure
2D Structure
2D structure of CID 129009017
CAS: 235096-67-0
CID: 129009017
Formula: C25H41N5O6
MW: 507.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.6
XLogP32.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass507.30568404
Monoisotopic Mass507.30568404
Topological Polar Surface Area166 Ų
Heavy Atom Count36
Formal Charge0
Complexity854
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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