Carfilzomib Impurity I

CAT: 1299-RM-K161809-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-K161809-01Size:10 mg

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CAS Number

82732-07-8

Synonyms

(R) -2- ((tert-butoxycarbonyl) amino) -4-phenylbutanoic acid

Molecular Formula

C15H21NO4

Molecular Weight

279.33

Target Alternative Name

Carfilzomib; Kyprolis

Product Name Synonym

(R) -2- ((tert-butoxycarbonyl) amino) -4-phenylbutanoic acid

Chemical Information

Boc-D-homophenylalanine

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CAS Number	82732-07-8
PubChem CID	2755954
IUPAC Name	(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoic acid
Molecular Formula	C15H21NO4
Molecular Weight	279.33
XLogP	2.9
Topological Polar Surface Area	75.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	20
Formal Charge	0
Complexity	329

SMILES

CC(C)(C)OC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16-12(13(17)18)10-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m1/s1

InChIKey

MCODLPJUFHPVQP-GFCCVEGCSA-N

Chemical Structure

2D Structure

CAS: 82732-07-8

CID: 2755954

Formula: C15H21NO4

MW: 279.33

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	279.33
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	279.14705815
Monoisotopic Mass	279.14705815
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	329
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes