(4S)-4-Amino-2,6-dimethyl-1-hepten-3-one 2,2,2-Trifluoroacetate - CAS 1619233-32-7

Catalog:	BB074881
Product Name:	(4S)-4-Amino-2,6-dimethyl-1-hepten-3-one 2,2,2-Trifluoroacetate
CAS:	1619233-32-7
Synonyms:	(S)-4-amino-2,6-dimethylhept-1-en-3-one 2,2,2-trifluoroacetate; (4S)-4-Amino-2,6-dimethyl-1-hepten-3-one 2,2,2-Trifluoroacetate; (4S)-4-amino-2,6-dimethylhept-1-en-3-one; 2,2,2-trifluoroacetic acid; (4S)-4-amino-2,6-dimethylhept-1-en-3-one; trifluoroacetic acid

Technical Data

IUPAC Name:	(4S)-4-amino-2,6-dimethylhept-1-en-3-one2,2,2-trifluoroacetic acid
Description:	(4S)-4-Amino-2,6-dimethyl-1-hepten-3-one 2,2,2-Trifluoroacetate is a reagent used for carbonyls and epoxides as dual electrophiles in peptide-based proteasome inhibitors. This is also an impurity of carfilzomib (C183460), which is a second-generation proteasome inhibitor that is used as a treatment in relapsed and refractory multiple myeloma.
Molecular Weight:	269.26
Molecular Formula:	C11H18F3NO3
Canonical SMILES:	CC(C)CC(C(=O)C(=C)C)N.C(=O)(C(F)(F)F)O
InChI:	InChI=1S/C9H17NO.C2HF3O2/c1-6(2)5-8(10)9(11)7(3)43-2(4,5)1(6)7/h6,8H,3,5,10H2,1-2,4H3(H,6,7)/t8-/m0./s1
InChI Key:	LRERPDGQQWNGFC-QRPNPIFTSA-N

Complexity:	244
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	269.12387792
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	269.12387792
Rotatable Bond Count:	4
Topological Polar Surface Area:	80.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0