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Misgurin
FEATURES
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NAMES
  • Misgurin
SMILES
CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O
InChI
InChI=1S/C106H189N41O29/c1-55(2)50-73(143-94(168)70(36-39-79(152)153)140-93(167)71(37-40-80(154)155)141-100(174)81(56(3)4)147-95(169)68(34-23-49-127-106(121)122)137-92(166)69(35-38-77(112)150)133-85(159)61(111)26-19-45-123-102(113)114)96(170)145-75(53-148)98(172)139-64(29-13-17-43-109)91(165)144-74(51-60-24-9-8-10-25-60)97(171)146-76(54-149)99(173)138-63(28-12-16-42-108)87(161)134-62(27-11-15-41-107)86(160)128-52-78(151)129-57(5)82(156)130-58(6)83(157)131-59(7)84(158)132-65(31-20-46-124-103(115)116)88(162)135-66(32-21-47-125-104(117)118)89(163)136-67(33-22-48-126-105(119)120)90(164)142-72(101(175)176)30-14-18-44-110/h8-10,24-25,55-59,61-76,81,148-149H,11-23,26-54,107-111H2,1-7H3,(H2,112,150)(H,128,160)(H,129,151)(H,130,156)(H,131,157)(H,132,158)(H,133,159)(H,134,161)(H,135,162)(H,136,163)(H,137,166)(H,138,173)(H,139,172)(H,140,167)(H,141,174)(H,142,164)(H,143,168)(H,144,165)(H,145,170)(H,146,171)(H,147,169)(H,152,153)(H,154,155)(H,175,176)(H4,113,114,123)(H4,115,116,124)(H4,117,118,125)(H4,119,120,126)(H4,121,122,127)/t57-,58-,59-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,81-/m0/s1
MOLECULAR FORMULA
C106H189N41O29
CROSS REFERENCES
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Misgurin

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 2500.46
AlogP -14.46
HBond donors 57
HBond acceptors 70
Atoms 365
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 Misgurin.