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E3 ligase Ligand 9 5mg

CAT: 0628-A19051-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A19051-5Size:5 mg
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CAS Number
87304-15-2

Chemical Information

E3 ligase Ligand 9
CAS Number87304-15-2
PubChem CID11200656
IUPAC Name(2S)-2-[[(2S,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoyl]amino]-4-methylpentanoic acid
Molecular FormulaC21H32N2O6
Molecular Weight408.5
XLogP3
Topological Polar Surface Area125
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count29
Formal Charge0
Complexity552
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O
InChI
InChI=1S/C21H32N2O6/c1-13(2)11-16(19(26)27)22-18(25)17(24)15(12-14-9-7-6-8-10-14)23-20(28)29-21(3,4)5/h6-10,13,15-17,24H,11-12H2,1-5H3,(H,22,25)(H,23,28)(H,26,27)/t15-,16+,17+/m1/s1
InChIKey
DLADKYKXROHIAB-IKGGRYGDSA-N
Chemical Structure
2D Structure
2D structure of E3 ligase Ligand 9
CAS: 87304-15-2
CID: 11200656
Formula: C21H32N2O6
MW: 408.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.5
XLogP33
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass408.22603674
Monoisotopic Mass408.22603674
Topological Polar Surface Area125 Ų
Heavy Atom Count29
Formal Charge0
Complexity552
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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