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Cis-Bac430

CAT: 0957-E4958-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-E4958-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cis-Bac430 plays a role in mediating the movement of anti-tumor CD8+cells from the periphery to the tumor site, thus enhancing the anti-tumor effect of an immune checkpoint inhibitor.
CAS Number
2227449-70-7
Target
Others
Activity
Others
Molecular Formula
C27H43NO3

Chemical Information

(2S)-2-[[(Z)-octadec-11-enoyl]amino]-3-phenylpropanoic acid
CAS Number2227449-70-7
PubChem CID145968877
IUPAC Name(2S)-2-[[(Z)-octadec-11-enoyl]amino]-3-phenylpropanoic acid
Molecular FormulaC27H43NO3
Molecular Weight429.6
XLogP8.6
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count19
Heavy Atom Count31
Formal Charge0
Complexity483
SMILES
CCCCCC/C=C\CCCCCCCCCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C27H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(29)28-25(27(30)31)23-24-20-17-16-18-21-24/h7-8,16-18,20-21,25H,2-6,9-15,19,22-23H2,1H3,(H,28,29)(H,30,31)/b8-7-/t25-/m0/s1
InChIKey
JABNLHORSJFXJN-UTBBOMKLSA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-[[(Z)-octadec-11-enoyl]amino]-3-phenylpropanoic acid
CAS: 2227449-70-7
CID: 145968877
Formula: C27H43NO3
MW: 429.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.6
XLogP38.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count19
Exact Mass429.32429423
Monoisotopic Mass429.32429423
Topological Polar Surface Area66.4 Ų
Heavy Atom Count31
Formal Charge0
Complexity483
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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