.mu.-Conotoxin G IIIA

Basic Information

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CAS Number

129129-65-3

Molecular Formula

C100H170N38O32S6

Molecular Weight

2609.05 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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S1C[C@@H]2C(NC([C@@H](C)O)C(N3C[C@@H](C[C@H]3C(N3C[C@@H](C[C@H]3C(N[C@H](C(N[C@H](C(N[C@@H]3C(N[C@H](C(N[C@@H](CC(=O)O)C(N[C@@H](CCCNC(=N)N)C(N[C@@H](CCC(N)=O)C(N[C@@H](CSSCC(C(N2)=O)NC([C@H](CC(=O)O)NC([C@H](CCCNC(=N)N)N)=O)=O)C(N[C@@H](CCCCN)C(N2C[C@@H](C[C@H]2C(N[C@H](C(NC(C(N[C@H](C(N[C@H](C(N[C@H](C(N)=O)C)=O)CSSC3)=O)CS1)=O)CCCNC(=N)N)=O)CCC(N)=O)=O)O)=O)=O)=O)=O)=O)=O)CCCCN)=O)=O)CCCCN)=O)CCCCN)=O)O)=O)O)=O)=O

InChI

1S/C100H170N38O32S6/c1-46(76(108)149)118-87(160)62-40-171-172-41-63-88(161)122-52(15-3-7-25-101)80(153)128-61(36-74(147)148)85(158)121-55(19-12-30-116-99(111)112)79(152)123-57(21-23-71(106)143)84(157)131-64-42-173-175-44-66(132-86(159)60(35-73(145)146)127-77(150)51(105)14-11-29-115-98(109)110)91(164)134-67(92(165)135-75(47(2)139)97(170)138-39-50(142)34-70(138)96(169)137-38-49(141)33-69(137)94(167)124-54(17-5-9-27-103)78(151)119-53(81(154)129-63)16-4-8-26-102)45-176-174-43-65(90(163)133-62)130-82(155)56(20-13-31-117-100(113)114)120-83(156)58(22-24-72(107)144)125-93(166)68-32-48(140)37-136(68)95(168)59(126-89(64)162)18-6-10-28-104/h46-70,75,139-142H,3-45,101-105H2,1-2H3,(H2,106,143)(H2,107,144)(H2,108,149)(H,118,160)(H,119,151)(H,120,156)(H,121,158)(H,122,161)(H,123,152)(H,124,167)(H,125,166)(H,126,162)(H,127,150)(H,128,153)(H,129,154)(H,130,155)(H,131,157)(H,132,159)(H,133,163)(H,134,164)(H,135,165)(H,145,146)(H,147,148)(H4,109,110,115)(H4,111,112,116)(H4,113,114,117)/t46-,47+,48+,49+,50+,51-,52-,53-,54-,55-,56?,57-,58-,59-,60-,61-,62-,63-,64-,65-,66?,67+,68-,69-,70-,75?/m0/s1

InChIKey

JXBJHMUQZOSJPJ-IKZCZPCYSA-N

LogP

-17.217289999999966

Topological Polar Surface Area

1185.3200000000002 Å²

Hydrogen Bond Donor/Acceptor

52 / 70

Complexity

5700

Safety Information

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Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

m-Conotoxin G IIIA (9CI)
.mu.-Conotoxin G IIIA
µ-Conotoxin GIIIA
u-Conotoxin GIIIA
Cys4 and Cys20
u-Conotoxin GIIIA, Conus geographus
L-Arginyl-L-alpha-aspartyl-L-cysteinyl-L-cysteinyl-L-threonyl-(4R)-4-hydroxy-L-prolyl-(4R)-4-hydroxy-L-prolyl-L-lysyl-L-lysyl-L-cysteinyl-L-lysyl-L-alpha-aspartyl-L-arginyl-L-glutaminyl-L-cysteinyl-L-lysyl-(4R)-4-hydroxy-L-prolyl-L-glutaminyl-L-arginyl-L-cysteinyl-L-cysteinyl-L-alaninamide cyclic (3→15),(4→20),(10→21)-tris(disulfide)
mhu-conotoxin GIIIA
CID 137247537
Geographutoxin I
mu-conotoxin GIIIA
0C5T02KI0E
Conotoxin G IIIA
mu-Conotoxin G IIIA
mu-Conotoxin G IIIA (reduced)
BDBM50520482
L-Alaninamide, L-arginyl-L-alpha-aspartyl-L-cysteinyl-L-cysteinyl-L-threonyl-(4R)-4-hydroxy-L-prolyl-(4R)-4-hydroxy-L-prolyl-L-lysyl-L-lysyl-L-cysteinyl-L-lysyl-L-alpha-aspartyl-L-arginyl-L-glutaminyl-L-cysteinyl-L-lysyl-(4R)-4-hydroxy-L-prolyl-l
H-Arg-Asp-Cys-Cys-Thr-Hyp-Hyp-Lys