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Carfilzomib Impurity 40

CAT: 1596-AR-C06234-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C06234-01Size:10 Units
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CAS Number
1545468-80-1
Synonyms
((S) -2-Amino-4-phenylbutanoyl) -L-leucyl-L-phenylalanine
Molecular Formula
C25H33N3O4
Molecular Weight
439.56
API Name
Carfilzomib

Chemical Information

((S)-2-amino-4-phenylbutanoyl)-L-leucyl-L-phenylalanine
CAS Number1545468-80-1
PubChem CID122430044
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
Molecular FormulaC25H33N3O4
Molecular Weight439.5
XLogP0.3
Topological Polar Surface Area122
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count32
Formal Charge0
Complexity598
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)N
InChI
InChI=1S/C25H33N3O4/c1-17(2)15-21(27-23(29)20(26)14-13-18-9-5-3-6-10-18)24(30)28-22(25(31)32)16-19-11-7-4-8-12-19/h3-12,17,20-22H,13-16,26H2,1-2H3,(H,27,29)(H,28,30)(H,31,32)/t20-,21-,22-/m0/s1
InChIKey
CSHVCQGQEPISTJ-FKBYEOEOSA-N
Chemical Structure
2D Structure
2D structure of ((S)-2-amino-4-phenylbutanoyl)-L-leucyl-L-phenylalanine
CAS: 1545468-80-1
CID: 122430044
Formula: C25H33N3O4
MW: 439.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.5
XLogP30.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass439.24710654
Monoisotopic Mass439.24710654
Topological Polar Surface Area122 Ų
Heavy Atom Count32
Formal Charge0
Complexity598
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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