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E3 ligase Ligand 1

CAT: 0926-FE178607-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-FE178607-01Size:5 g
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CAS Number
1948273-03-7
Smiles
CC1=C (SC=N1) C2=CC=C (C=C2) [C@H] (C) NC (=O) [C@@H]3C[C@H] (CN3C (=O) [C@H] (C (C) (C) C) N) O.Cl
Molecular Formula
C23H33ClN4O3S
Molecular Weight
481.1 g/mol
Controlled
No

Chemical Information

L-Prolinamide, 3-methyl-L-valyl-4-hydroxy-N-((1S)-1-(4-(4-methyl-5-thiazolyl)phenyl)ethyl)-, hydrochloride (1:1), (4R)-
CAS Number1948273-03-7
PubChem CID122422950
IUPAC Name(2S,4R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
Molecular FormulaC23H33ClN4O3S
Molecular Weight481.1
Topological Polar Surface Area137
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity647
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)N)O.Cl
InChI
InChI=1S/C23H32N4O3S.ClH/c1-13(15-6-8-16(9-7-15)19-14(2)25-12-31-19)26-21(29)18-10-17(28)11-27(18)22(30)20(24)23(3,4)5;/h6-9,12-13,17-18,20,28H,10-11,24H2,1-5H3,(H,26,29);1H/t13-,17+,18-,20+;/m0./s1
InChIKey
GHFOLQCCYGBOTL-QDVBFIRISA-N
Chemical Structure
2D Structure
2D structure of L-Prolinamide, 3-methyl-L-valyl-4-hydroxy-N-((1S)-1-(4-(4-methyl-5-thiazolyl)phenyl)ethyl)-, hydrochloride (1:1), (4R)-
CAS: 1948273-03-7
CID: 122422950
Formula: C23H33ClN4O3S
MW: 481.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight481.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass480.1961898
Monoisotopic Mass480.1961898
Topological Polar Surface Area137 Ų
Heavy Atom Count32
Formal Charge0
Complexity647
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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