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Largamide E
FEATURES
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NAMES
  • Largamide E
SMILES
CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCc2ccc(O)cc2)NC(=O)[C@H](O)CO)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)c(Cl)c2)N(C)C(=O)[C@H]([C@@H](C)O)N2C(=O)[C@H](CC[C@H]2O)NC1=O
InChI
InChI=1S/C56H82ClN9O17/c1-26(2)22-38-49(75)60-37-19-21-42(72)66(54(37)80)46(30(8)68)55(81)65(10)39(24-33-16-20-40(70)35(57)23-33)50(76)63-44(28(5)6)56(82)83-31(9)45(53(79)61-38)64-52(78)43(27(3)4)62-47(73)29(7)58-48(74)36(59-51(77)41(71)25-67)13-11-12-32-14-17-34(69)18-15-32/h14-18,20,23,26-31,36-39,41-46,67-72H,11-13,19,21-22,24-25H2,1-10H3,(H,58,74)(H,59,77)(H,60,75)(H,61,79)(H,62,73)(H,63,76)(H,64,78)/t29-,30-,31-,36+,37+,38+,39+,41-,42-,43+,44+,45+,46+/m1/s1
MOLECULAR FORMULA
C56H82ClN9O17
CROSS REFERENCES
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Largamide E

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 1187.55
AlogP -1.10
HBond donors 13
HBond acceptors 26
Atoms 165
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 Largamide E.