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Carfilzomib Impurity X

CAT: 1299-RM-K161824-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-K161824-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1541171-68-9
Synonyms
(S) -N- ((S) -1- (((2R,4S) -1- ((1H-benzo[d][1,2,3]triazol-1-yl) oxy) -2-hydroxy-2,6-dimethyl-3-oxoheptan-4-yl) amino) -1-oxo-3-phenylpropan-2-yl) -4-methyl-2- ((S) -2- (2-morpholinoacetamido) -4-phenylbutanamido) pentanamide
Molecular Formula
C46H62N8O8
Molecular Weight
855.03
Target Alternative Name
Carfilzomib; Kyprolis
Product Name Synonym
(S) -N- ((S) -1- (((2R,4S) -1- ((1H-benzo[d][1,2,3]triazol-1-yl) oxy) -2-hydroxy-2,6-dimethyl-3-oxoheptan-4-yl) amino) -1-oxo-3-phenylpropan-2-yl) -4-methyl-2- ((S) -2- (2-morpholinoacetamido) -4-phenylbutanamido) pentanamide

Chemical Information

Carfilzomib Impurity 64
CAS Number1541171-68-9
PubChem CID117883839
IUPAC Name(2S)-N-[(2S)-1-[[(2R,4S)-1-(benzotriazol-1-yloxy)-2-hydroxy-2,6-dimethyl-3-oxoheptan-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanamide
Molecular FormulaC46H62N8O8
Molecular Weight855.0
XLogP5.7
Topological Polar Surface Area206
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count23
Heavy Atom Count62
Formal Charge0
Complexity1440
SMILES
CC(C)C[C@@H](C(=O)[C@@](C)(CON1C2=CC=CC=C2N=N1)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC4=CC=CC=C4)NC(=O)CN5CCOCC5
InChI
InChI=1S/C46H62N8O8/c1-31(2)26-37(42(56)46(5,60)30-62-54-40-19-13-12-18-35(40)51-52-54)48-45(59)39(28-34-16-10-7-11-17-34)50-44(58)38(27-32(3)4)49-43(57)36(21-20-33-14-8-6-9-15-33)47-41(55)29-53-22-24-61-25-23-53/h6-19,31-32,36-39,60H,20-30H2,1-5H3,(H,47,55)(H,48,59)(H,49,57)(H,50,58)/t36-,37-,38-,39-,46+/m0/s1
InChIKey
NTNBKSBDKHBDPF-XLRGRXCLSA-N
Chemical Structure
2D Structure
2D structure of Carfilzomib Impurity 64
CAS: 1541171-68-9
CID: 117883839
Formula: C46H62N8O8
MW: 855.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight855.0
XLogP35.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count23
Exact Mass854.46906097
Monoisotopic Mass854.46906097
Topological Polar Surface Area206 Ų
Heavy Atom Count62
Formal Charge0
Complexity1440
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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