NAB740
FEATURES
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NAMES
  • NAB740
SMILES
CCCCCCCCCC(=O)N[C@H](C(=O)N[C@H](CO)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O
InChI
InChI=1S/C52H89N13O13/c1-6-7-8-9-10-11-15-18-41(69)64-43(32(5)68)52(78)63-40(29-66)50(76)60-37-22-26-56-51(77)42(31(4)67)65-47(73)36(21-25-55)58-44(70)34(19-23-53)59-48(74)38(27-30(2)3)61-49(75)39(28-33-16-13-12-14-17-33)62-45(71)35(20-24-54)57-46(37)72/h12-14,16-17,30-32,34-40,42-43,66-68H,6-11,15,18-29,53-55H2,1-5H3,(H,56,77)(H,57,72)(H,58,70)(H,59,74)(H,60,76)(H,61,75)(H,62,71)(H,63,78)(H,64,69)(H,65,73)/t31-,32-,34+,35+,36+,37+,38+,39+,40-,42+,43+/m1/s1
MOLECULAR FORMULA
C52H89N13O13
CROSS REFERENCES
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NAB740
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight1103.67
AlogP-3.90
HBond donors19
HBond acceptors26
Atoms167
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by NAB740.