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K36
FEATURES
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NAMES
  • K36
SMILES
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O
InChI
InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t15-,16-,17-,20?/m0/s1
MOLECULAR FORMULA
C21H31N3O8S
CROSS REFERENCES
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K36

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 485.18
AlogP 0.54
HBond donors 5
HBond acceptors 11
Atoms 64
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by K36.