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[2Nal2]hNPS
FEATURES
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NAMES
  • [2Nal2]hNPS
SMILES
CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O
InChI
InChI=1S/C97H157N31O28S/c1-50(2)76(126-74(137)45-110-81(141)68(43-72(103)135)123-84(144)63(28-19-38-109-97(106)107)119-90(150)67(121-80(140)58(101)47-129)42-55-29-30-56-22-10-11-23-57(56)40-55)92(152)111-46-75(138)127-77(52(4)132)93(153)112-44-73(136)114-65(33-39-157-6)87(147)116-60(25-13-16-35-99)83(143)117-61(26-14-17-36-100)88(148)128-78(53(5)133)94(154)124-69(48-130)91(151)122-66(41-54-20-8-7-9-21-54)89(149)120-64(31-32-71(102)134)86(146)118-62(27-18-37-108-96(104)105)82(142)113-51(3)79(139)115-59(24-12-15-34-98)85(145)125-70(49-131)95(155)156/h7-11,20-23,29-30,40,50-53,58-70,76-78,129-133H,12-19,24-28,31-39,41-49,98-101H2,1-6H3,(H2,102,134)(H2,103,135)(H,110,141)(H,111,152)(H,112,153)(H,113,142)(H,114,136)(H,115,139)(H,116,147)(H,117,143)(H,118,146)(H,119,150)(H,120,149)(H,121,140)(H,122,151)(H,123,144)(H,124,154)(H,125,145)(H,126,137)(H,127,138)(H,128,148)(H,155,156)(H4,104,105,108)(H4,106,107,109)/t51-,52+,53+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,76-,77-,78-/m0/s1
MOLECULAR FORMULA
C97H157N31O28S
CROSS REFERENCES
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[2Nal2]hNPS

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 2236.15
AlogP -13.64
HBond donors 45
HBond acceptors 59
Atoms 314
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 [2Nal2]hNPS.