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Galb2
FEATURES
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NAMES
  • Galb2
SMILES
CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)O
InChI
InChI=1S/C104H173N23O23/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-42-86(132)110-50-33-29-39-74(95(140)120-76(104(149)150)40-28-32-49-107)118-93(138)73(37-26-30-47-105)117-94(139)75(38-27-31-48-106)119-102(147)84-41-34-51-127(84)89(135)61-113-92(137)77(52-63(2)3)121-96(141)78(53-64(4)5)122-98(143)80(55-68-43-45-70(130)46-44-68)115-88(134)60-112-91(136)66(8)114-101(146)83(62-128)125-99(144)82(57-85(108)131)123-97(142)79(54-65(6)7)124-103(148)90(67(9)129)126-100(145)81(116-87(133)59-109-10)56-69-58-111-72-36-25-24-35-71(69)72/h24-25,35-36,43-46,58,63-67,73-84,90,109,111,128-130H,11-23,26-34,37-42,47-57,59-62,105-107H2,1-10H3,(H2,108,131)(H,110,132)(H,112,136)(H,113,137)(H,114,146)(H,115,134)(H,116,133)(H,117,139)(H,118,138)(H,119,147)(H,120,140)(H,121,141)(H,122,143)(H,123,142)(H,124,148)(H,125,144)(H,126,145)(H,149,150)/t66-,67+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,90-/m0/s1
MOLECULAR FORMULA
C104H173N23O23
CROSS REFERENCES
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Galb2

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 2112.31
AlogP 0.05
HBond donors 30
HBond acceptors 46
Atoms 323
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 Galb2.