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KZR-504 5mg

CAT: 0628-A19210-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A19210-5Size:5 mg
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CAS Number
1629052-78-3

Chemical Information

N-((S)-3-Hydroxy-1-(((S)-1-((R)-2-methyloxiran-2-YL)-1-oxo-3-phenylpropan-2-YL)amino)-1-oxopropan-2-YL)-6-oxo-1,6-dihydropyridine-2-carboxamide
CAS Number1629052-78-3
PubChem CID117611788
IUPAC NameN-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-2-carboxamide
Molecular FormulaC21H23N3O6
Molecular Weight413.4
XLogP0
Topological Polar Surface Area137
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity771
SMILES
C[C@@]1(CO1)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)C3=CC=CC(=O)N3
InChI
InChI=1S/C21H23N3O6/c1-21(12-30-21)18(27)15(10-13-6-3-2-4-7-13)23-20(29)16(11-25)24-19(28)14-8-5-9-17(26)22-14/h2-9,15-16,25H,10-12H2,1H3,(H,22,26)(H,23,29)(H,24,28)/t15-,16-,21+/m0/s1
InChIKey
QYDASSGXBXGRBS-CKJXQJPGSA-N
Chemical Structure
2D Structure
2D structure of N-((S)-3-Hydroxy-1-(((S)-1-((R)-2-methyloxiran-2-YL)-1-oxo-3-phenylpropan-2-YL)amino)-1-oxopropan-2-YL)-6-oxo-1,6-dihydropyridine-2-carboxamide
CAS: 1629052-78-3
CID: 117611788
Formula: C21H23N3O6
MW: 413.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.4
XLogP30
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass413.15868546
Monoisotopic Mass413.15868546
Topological Polar Surface Area137 Ų
Heavy Atom Count30
Formal Charge0
Complexity771
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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