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Carfilzomib Impurity 41

CAT: 1299-RM-K161841-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-K161841-01Size:10 mg
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CAS Number
2049025-59-2
Synonyms
(S) -4-methyl-N- ((S) -1- (((S) -4-methyl-1- ((R) -2-methyloxiran-2-yl) -1-oxopentan-2-yl) amino) -1-oxo-3-phenylpropan-2-yl) -2- ((R) -2- (2-morpholinoacetamido) -4-phenylbutanamido) pentanamide
Molecular Formula
C40H57N5O7
Molecular Weight
719.91
Target Alternative Name
Carfilzomib; Kyprolis
Product Name Synonym
(S) -4-methyl-N- ((S) -1- (((S) -4-methyl-1- ((R) -2-methyloxiran-2-yl) -1-oxopentan-2-yl) amino) -1-oxo-3-phenylpropan-2-yl) -2- ((R) -2- (2-morpholinoacetamido) -4-phenylbutanamido) pentanamide

Chemical Information

(S)-4-Methyl-N-((S)-1-(((S)-4-Methyl-1-((R)-2-Methyloxiran-2-yl)-1-oxopentan-2-yl)aMino)-1-oxo-3-phenylpropan-2-yl)-2-((R)-2-(2-MorpholinoacetaMido)-4-phenylbutanaMido)pentanaMide
CAS Number2049025-59-2
PubChem CID118703410
IUPAC Name(2S)-4-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2R)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanamide
Molecular FormulaC40H57N5O7
Molecular Weight719.9
XLogP4.7
Topological Polar Surface Area158
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count20
Heavy Atom Count52
Formal Charge0
Complexity1180
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)CN4CCOCC4
InChI
InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)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)25-45-18-20-51-21-19-45/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-/m1/s1
InChIKey
BLMPQMFVWMYDKT-YJIZGLGWSA-N
Chemical Structure
2D Structure
2D structure of (S)-4-Methyl-N-((S)-1-(((S)-4-Methyl-1-((R)-2-Methyloxiran-2-yl)-1-oxopentan-2-yl)aMino)-1-oxo-3-phenylpropan-2-yl)-2-((R)-2-(2-MorpholinoacetaMido)-4-phenylbutanaMido)pentanaMide
CAS: 2049025-59-2
CID: 118703410
Formula: C40H57N5O7
MW: 719.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight719.9
XLogP34.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count20
Exact Mass719.42579917
Monoisotopic Mass719.42579917
Topological Polar Surface Area158 Ų
Heavy Atom Count52
Formal Charge0
Complexity1180
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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