Carfilzomib Impurity 29

CAT: 1299-RM-K161829-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-K161829-01Size:10 mg

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CAS Number

247068-81-1

Synonyms

(S) -tert-butyl (2,6-dimethyl-3-oxohept-1-en-4-yl) carbamate

Molecular Formula

C14H25NO3

Molecular Weight

255.35

Target Alternative Name

Carfilzomib; Kyprolis

Product Name Synonym

(S) -tert-butyl (2,6-dimethyl-3-oxohept-1-en-4-yl) carbamate

Chemical Information

(S)-tert-butyl(2,6-dimethyl-3-oxohept-1-en-4-yl)carbamate

CAS Number	247068-81-1
PubChem CID	57661775
IUPAC Name	tert-butyl N-[(4S)-2,6-dimethyl-3-oxohept-1-en-4-yl]carbamate
Molecular Formula	C14H25NO3
Molecular Weight	255.35
XLogP	3.4
Topological Polar Surface Area	55.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	18
Formal Charge	0
Complexity	326

SMILES

CC(C)C[C@@H](C(=O)C(=C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C14H25NO3/c1-9(2)8-11(12(16)10(3)4)15-13(17)18-14(5,6)7/h9,11H,3,8H2,1-2,4-7H3,(H,15,17)/t11-/m0/s1

InChIKey

BRMIWZWAGRRHEN-NSHDSACASA-N

Chemical Structure

2D Structure

CAS: 247068-81-1

CID: 57661775

Formula: C14H25NO3

MW: 255.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	255.35
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	255.18344366
Monoisotopic Mass	255.18344366
Topological Polar Surface Area	55.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	326
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