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Carfilzomib Impurity 93

CAT: 1299-RM-K161893-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-K161893-01Size:10 mg
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CAS Number
5874-73-7
Synonyms
Methyl (tert-butoxycarbonyl) -L-leucyl-L-phenylalaninate
Molecular Formula
C21H32N2O5
Molecular Weight
392.5
Target Alternative Name
Carfilzomib
Product Name Synonym
Methyl (tert-butoxycarbonyl) -L-leucyl-L-phenylalaninate

Chemical Information

tert-Butyloxycarbonyl-leucylphenylalanine methyl ester

RN for cpd & labeled cpd from first source; RN not in Chemline 5/86

CAS Number5874-73-7
PubChem CID151280
IUPAC Namemethyl (2S)-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenylpropanoate
Molecular FormulaC21H32N2O5
Molecular Weight392.5
XLogP3.6
Topological Polar Surface Area93.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count28
Formal Charge0
Complexity521
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)NC(=O)OC(C)(C)C
InChI
InChI=1S/C21H32N2O5/c1-14(2)12-16(23-20(26)28-21(3,4)5)18(24)22-17(19(25)27-6)13-15-10-8-7-9-11-15/h7-11,14,16-17H,12-13H2,1-6H3,(H,22,24)(H,23,26)/t16-,17-/m0/s1
InChIKey
VSHDSIZCAIEPCM-IRXDYDNUSA-N
Chemical Structure
2D Structure
2D structure of tert-Butyloxycarbonyl-leucylphenylalanine methyl ester
CAS: 5874-73-7
CID: 151280
Formula: C21H32N2O5
MW: 392.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.5
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass392.23112213
Monoisotopic Mass392.23112213
Topological Polar Surface Area93.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity521
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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