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Patellamide E
FEATURES
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NAMES
  • Patellamide E
SMILES
CC[C@H](C)[C@@H]1NC(=O)c2csc(n2)[C@@H](C(C)C)NC(=O)[C@H]2N=C(O[C@@H]2C)[C@H](C(C)C)NC(=O)c2csc(n2)[C@@H](Cc2ccccc2)NC(=O)[C@H]2N=C1O[C@@H]2C
InChI
InChI=1S/C39H50N8O6S2/c1-9-20(6)29-37-47-30(21(7)53-37)34(50)40-24(15-23-13-11-10-12-14-23)38-41-25(16-54-38)32(48)43-27(18(2)3)36-46-31(22(8)52-36)35(51)44-28(19(4)5)39-42-26(17-55-39)33(49)45-29/h10-14,16-22,24,27-31H,9,15H2,1-8H3,(H,40,50)(H,43,48)(H,44,51)(H,45,49)/t20-,21+,22+,24+,27-,28+,29-,30-,31-/m0/s1
MOLECULAR FORMULA
C39H50N8O6S2
CROSS REFERENCES
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Patellamide E

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 790.33
AlogP 4.80
HBond donors 4
HBond acceptors 14
Atoms 105
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Patellamide E.