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Carfilzomib Impurity 46

CAT: 1299-RM-K161846-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-K161846-01Size:10 mg
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CAS Number
2049024-77-1
Synonyms
(S) -2- ((S) -4-methyl-2- ((R) -2- (2-morpholinoacetamido) -4-phenylbutanamido) pentanamido) -3-phenylpropanoic acid
Molecular Formula
C31H42N4O6
Molecular Weight
566.69
Target Alternative Name
Carfilzomib; Kyprolis
Product Name Synonym
(S) -2- ((S) -4-methyl-2- ((R) -2- (2-morpholinoacetamido) -4-phenylbutanamido) pentanamido) -3-phenylpropanoic acid

Chemical Information

Carfilzomib Impurity 15
CAS Number2049024-77-1
PubChem CID124638104
IUPAC Name(2S)-2-[[(2S)-4-methyl-2-[[(2R)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanoyl]amino]-3-phenylpropanoic acid
Molecular FormulaC31H42N4O6
Molecular Weight566.7
XLogP1.3
Topological Polar Surface Area137
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count15
Heavy Atom Count41
Formal Charge0
Complexity834
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@@H](CCC2=CC=CC=C2)NC(=O)CN3CCOCC3
InChI
InChI=1S/C31H42N4O6/c1-22(2)19-26(30(38)34-27(31(39)40)20-24-11-7-4-8-12-24)33-29(37)25(14-13-23-9-5-3-6-10-23)32-28(36)21-35-15-17-41-18-16-35/h3-12,22,25-27H,13-21H2,1-2H3,(H,32,36)(H,33,37)(H,34,38)(H,39,40)/t25-,26+,27+/m1/s1
InChIKey
MIVQDKORYUSPTQ-PVHODMMVSA-N
Chemical Structure
2D Structure
2D structure of Carfilzomib Impurity 15
CAS: 2049024-77-1
CID: 124638104
Formula: C31H42N4O6
MW: 566.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight566.7
XLogP31.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count15
Exact Mass566.31043507
Monoisotopic Mass566.31043507
Topological Polar Surface Area137 Ų
Heavy Atom Count41
Formal Charge0
Complexity834
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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