Discobahamin A
FEATURES
Loading...
NAMES
  • Discobahamin A
SMILES
CCC[C@@H](NC(=O)C(O)C(C)CC)C(=O)N[C@H]1CCCNC(=O)[C@H](Cc2c[nH]c3ccc(O)cc23)NC(=O)/C=C/c2coc(n2)[C@H](C)NC(=O)C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C1=O
InChI
InChI=1S/C47H65N9O11/c1-7-11-33(53-44(64)39(59)26(5)8-2)42(62)54-34-12-9-18-48-41(61)36(21-28-23-49-32-16-15-30(57)22-31(28)32)52-38(58)17-14-29-24-67-46(51-29)27(6)50-45(65)40(60)35(20-25(3)4)55-43(63)37-13-10-19-56(37)47(34)66/h14-17,22-27,33-37,39,49,57,59H,7-13,18-21H2,1-6H3,(H,48,61)(H,50,65)(H,52,58)(H,53,64)(H,54,62)(H,55,63)/b17-14+/t26?,27-,33+,34-,35-,36-,37-,39?/m0/s1
MOLECULAR FORMULA
C47H65N9O11
CROSS REFERENCES
Loading...
Discobahamin A
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight931.48
AlogP1.96
HBond donors9
HBond acceptors20
Atoms132
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Discobahamin A.