(S, R, S) -AHPC TFA

CAT: 0127-BUP06072-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP06072-01Size:5 mg

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CAS Number

1631137-51-3

Synonyms

VH032-NH2 TFA, VHL ligand 1 TFA

Purity

=95%

Smiles

O=C(NCC1=CC=C(C2=C(C)N=CS2)C=C1)[C@H]3N(C([C@H](C(C)(C)C)N)=O)C[C@H](O)C3.O=C(O)C(F)(F)F

Chemical Information

Protein degrader 1 TFA

CAS Number	1631137-51-3
PubChem CID	133053568
IUPAC Name	(2S,4R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
Molecular Formula	C24H31F3N4O5S
Molecular Weight	544.6
Topological Polar Surface Area	174
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	6
Heavy Atom Count	37
Formal Charge	0
Complexity	701

SMILES

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)N)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C22H30N4O3S.C2HF3O2/c1-13-18(30-12-25-13)15-7-5-14(6-8-15)10-24-20(28)17-9-16(27)11-26(17)21(29)19(23)22(2,3)4;3-2(4,5)1(6)7/h5-8,12,16-17,19,27H,9-11,23H2,1-4H3,(H,24,28);(H,6,7)/t16-,17+,19-;/m1./s1

InChIKey

SGNZARGJXDPTDJ-MSSRUXLCSA-N

Chemical Structure

2D Structure

CAS: 1631137-51-3

CID: 133053568

Formula: C24H31F3N4O5S

MW: 544.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	544.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	6
Exact Mass	544.19672576
Monoisotopic Mass	544.19672576
Topological Polar Surface Area	174 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	701
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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(S, R, S) -AHPC TFA

Chemical Information

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