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NAB716
FEATURES
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NAMES
  • NAB716
SMILES
CCCCCCCC(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CC)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/C51H87N13O12/c1-7-9-10-11-15-18-40(67)63-42(31(6)66)51(76)60-35(20-24-53)44(69)59-37-22-26-55-50(75)41(30(5)65)64-47(72)36(21-25-54)57-43(68)33(8-2)56-48(73)38(27-29(3)4)61-49(74)39(28-32-16-13-12-14-17-32)62-45(70)34(19-23-52)58-46(37)71/h12-14,16-17,29-31,33-39,41-42,65-66H,7-11,15,18-28,52-54H2,1-6H3,(H,55,75)(H,56,73)(H,57,68)(H,58,71)(H,59,69)(H,60,76)(H,61,74)(H,62,70)(H,63,67)(H,64,72)/t30-,31-,33+,34+,35+,36+,37+,38+,39+,41+,42+/m1/s1
MOLECULAR FORMULA
C51H87N13O12
CROSS REFERENCES
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NAB716

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 1073.66
AlogP -3.26
HBond donors 18
HBond acceptors 25
Atoms 163
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 NAB716.