AG00BF6J

Name: Taltobulin (trifluoroacetate)
Brand: Angene Chemical
SKU: AG00BF6J

228266-41-9 | Taltobulin (trifluoroacetate)

AG00BF6J

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CAS Number	228266-41-9
Catalog Number	AG00BF6J
Chemical Name	Taltobulin (trifluoroacetate)
IUPAC Name	(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;2,2,2-trifluoroacetic acid
InChI	InChI=1S/C27H43N3O4.C2HF3O2/c1-17(2)20(16-18(3)25(33)34)30(10)24(32)22(26(4,5)6)29-23(31)21(28-9)27(7,8)19-14-12-11-13-15-19;3-2(4,5)1(6)7/h11-17,20-22,28H,1-10H3,(H,29,31)(H,33,34);(H,6,7)/b18-16+;/t20-,21-,22-;/m1./s1
InChI Key	SHWPCKJNFBDPFA-LPWSJWOVSA-N
MDL Number	MFCD28385878
Molecular Formula	C29H44F3N3O6
Molecular Weight	587.6714
SMILES	C(C)(C)(C)[C@H](NC([C@H](C(C1C=CC=CC=1)(C)C)NC)=O)C(N([C@@H](C(C)C)/C=C(/C(O)=O)C)C)=O.C(O)(=O)C(F)(F)F
Synonyms	Taltobulin (trifluoroacetate), 228266-41-9, HY-15584A, CS-3787, HTI-286 trifluoroacetate;SPA-110 trifluoroacetate, Taltobulin trifluoroacetate,

Complexity	829
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	1
Exact Mass	587.318g/mol
Formal Charge	0
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	587.681g/mol
Monoisotopic Mass	587.318g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	136A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited