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Pronase E (Activity = 7000 U/g)

CAT: 0127-BUP20500-01Size: 50 mgDry Ice: NoHazardous: No
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CAS Number
1801547-16-9
Synonyms
Pronase , Pronase E
Smiles
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOc2cc3nccc(Nc4ccc5scnc5c4)c3cc2S(=O)(=O)C(C)(C)C)C(C)(C)C)cc1

Chemical Information

PROTAC RIPK degrader-2
CAS Number1801547-16-9
PubChem CID91799297
IUPAC Name(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[4-(1,3-benzothiazol-5-ylamino)-6-tert-butylsulfonylquinolin-7-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Molecular FormulaC52H65N7O11S3
Molecular Weight1060.3
XLogP5.9
Topological Polar Surface Area295
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count17
Rotatable Bond Count26
Heavy Atom Count73
Formal Charge0
Complexity1870
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)NC(=O)COCCOCCOCCOCCOC4=CC5=NC=CC(=C5C=C4S(=O)(=O)C(C)(C)C)NC6=CC7=C(C=C6)SC=N7)O
InChI
InChI=1S/C52H65N7O11S3/c1-33-47(72-31-55-33)35-10-8-34(9-11-35)28-54-49(62)42-25-37(60)29-59(42)50(63)48(51(2,3)4)58-46(61)30-69-21-20-67-17-16-66-18-19-68-22-23-70-43-27-40-38(26-45(43)73(64,65)52(5,6)7)39(14-15-53-40)57-36-12-13-44-41(24-36)56-32-71-44/h8-15,24,26-27,31-32,37,42,48,60H,16-23,25,28-30H2,1-7H3,(H,53,57)(H,54,62)(H,58,61)/t37-,42+,48-/m1/s1
InChIKey
RIEGJNXDHULIKM-GPPJZCFZSA-N
Chemical Structure
2D Structure
2D structure of PROTAC RIPK degrader-2
CAS: 1801547-16-9
CID: 91799297
Formula: C52H65N7O11S3
MW: 1060.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1060.3
XLogP35.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count17
Rotatable Bond Count26
Exact Mass1059.39041944
Monoisotopic Mass1059.39041944
Topological Polar Surface Area295 Ų
Heavy Atom Count73
Formal Charge0
Complexity1870
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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