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Carfilzomib Impurity 36

CAT: 1299-RM-K161836-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-K161836-01Size:10 mg
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CAS Number
1672698-96-2
Synonyms
4- ((4S,7S,10S,13S) -10-benzyl-7-isobutyl-15-methyl-13- ((R) -2-methyloxirane-2-carbonyl) -2,5,8,11-tetraoxo-4-phenethyl-3,6,9,12-tetraazahexadecyl) morpholine 4-oxide
Molecular Formula
C40H57N5O8
Molecular Weight
735.91
Target Alternative Name
Carfilzomib; Kyprolis
Product Name Synonym
4- ((4S,7S,10S,13S) -10-benzyl-7-isobutyl-15-methyl-13- ((R) -2-methyloxirane-2-carbonyl) -2,5,8,11-tetraoxo-4-phenethyl-3,6,9,12-tetraazahexadecyl) morpholine 4-oxide

Chemical Information

Carfilzomib N-Oxide
CAS Number1672698-96-2
PubChem CID169445136
IUPAC Name(2R)-4-methyl-N-[(2R)-1-[[(2R)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[[2-(4-oxidomorpholin-4-ium-4-yl)acetyl]amino]-4-phenylbutanoyl]amino]pentanamide
Molecular FormulaC40H57N5O8
Molecular Weight735.9
XLogP4.7
Topological Polar Surface Area173
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count20
Heavy Atom Count53
Formal Charge0
Complexity1230
SMILES
CC(C)C[C@H](C(=O)[C@]1(CO1)C)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCC3=CC=CC=C3)NC(=O)C[N+]4(CCOCC4)[O-]
InChI
InChI=1S/C40H57N5O8/c1-27(2)22-32(36(47)40(5)26-53-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45(51)18-20-52-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32+,33+,34+,40+/m0/s1
InChIKey
CMLXYRHHVYWBGV-RHUCHRNESA-N
Chemical Structure
2D Structure
2D structure of Carfilzomib N-Oxide
CAS: 1672698-96-2
CID: 169445136
Formula: C40H57N5O8
MW: 735.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight735.9
XLogP34.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count20
Exact Mass735.42071379
Monoisotopic Mass735.42071379
Topological Polar Surface Area173 Ų
Heavy Atom Count53
Formal Charge0
Complexity1230
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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