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2245697-83-8 | Protac linker 5
CAS No: 2245697-83-8 Catalog No: AG01FHHA MDL No:
Product Description
Catalog Number:
AG01FHHA
Chemical Name:
Protac linker 5
CAS Number:
2245697-83-8
Molecular Formula:
C27H40ClN5O4S
Molecular Weight:
566.1556
IUPAC Name:
(2S,4R)-1-[(2S)-2-(5-aminopentanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
InChI:
InChI=1S/C27H39N5O4S.ClH/c1-17-23(37-16-30-17)19-10-8-18(9-11-19)14-29-25(35)21-13-20(33)15-32(21)26(36)24(27(2,3)4)31-22(34)7-5-6-12-28;/h8-11,16,20-21,24,33H,5-7,12-15,28H2,1-4H3,(H,29,35)(H,31,34);1H/t20-,21+,24-;/m1./s1
InChI Key:
HJICCZROGLAHNB-BIBCNAKVSA-N
SMILES:
NCCCCC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NCc1ccc(cc1)c1scnc1C)O.Cl
Properties
Complexity:
783
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
565.249g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
566.158g/mol
Monoisotopic Mass:
565.249g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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