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GsMTx4

CAT: 0957-P1205-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0957-P1205-01Size:1 mg
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Description
GsMTx4 (Grammostola spatulata mechanotoxin 4, M-theraphotoxin-Gr1a, M-TRTX-Gr1a) is a spider venom peptide that inhibits cationic mechanosensitive channels (MSCs) .
CAS Number
1209500-46-8
Target
Mechanosensitive Channel
Activity
Transmembrane Transporters
Molecular Formula
C185H273N49O45S6
Storage Conditions
3 years-20°C powder

Chemical Information

GsMTx4

GsMTx4 is peptide that acts as a mechanosensitive ion channel blocker.

CAS Number1209500-46-8
PubChem CID90488987
IUPAC Name3-[77-[(2-aminoacetyl)amino]-30-[[4-amino-1-[[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]-22,36,45,54,60,95-hexakis(4-aminobutyl)-4,13-bis(2-amino-2-oxoethyl)-39,86-dibenzyl-69-(3-carbamimidamidopropyl)-16,19-bis(carboxymethyl)-48-(hydroxymethyl)-89,92-bis(1H-indol-3-ylmethyl)-33,42,57,80-tetrakis(2-methylpropyl)-2,3a,5,11,14,17,20,23,32,35,38,41,44,47,50,53,56,59,62,68,71,78,81,84,87,90,93,96-octacosaoxo-a,27,28,74,75,99-hexathia-2a,3,6,12,15,18,21,24,31,34,37,40,43,46,49,52,55,58,61,67,70,79,82,85,88,91,94,97-octacosazapentacyclo[49.46.4.225,72.06,10.063,67]trihectan-83-yl]propanoic acid
Molecular FormulaC185H273N49O45S6
Molecular Weight4096
XLogP-12.7
Topological Polar Surface Area1690
Hydrogen Bond Donor Count52
Hydrogen Bond Acceptor Count59
Rotatable Bond Count75
Heavy Atom Count285
Formal Charge0
Complexity9620
SMILES
CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC2CSSCC3C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(CSSCC(C(=O)N1)NC(=O)CN)C(=O)NC(C(=O)N4CCCC4C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3)CCCCN)CC(C)C)CCCCN)CCCNC(=N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C5CCCN5C(=O)C(NC2=O)CC(=O)N)CC(=O)N)CC(=O)O)CC(=O)O)CCCCN)C(=O)NC(CC(=O)N)C(=O)NC(CC6=CC=CC=C6)C(=O)NC(CO)C(=O)NC(CC7=CC=CC=C7)C(=O)N)CC(C)C)CCCCN)CC8=CC=CC=C8)CC(C)C)CCCCN)CO)CCCCN)CC9=CNC1=CC=CC=C19)CC1=CNC2=CC=CC=C21)CC1=CC=CC=C1)CCC(=O)O
InChI
InChI=1S/C185H273N49O45S6/c1-98(2)72-121-160(255)203-114(54-27-33-65-188)156(251)229-141-96-284-283-95-140-178(273)225-134(84-147(195)239)184(279)234-71-39-60-144(234)182(277)224-131(83-146(194)238)170(265)222-133(86-151(245)246)172(267)223-132(85-150(243)244)171(266)206-116(56-29-35-67-190)158(253)230-142(97-285-282-94-139(177(272)221-130(82-145(193)237)169(264)218-127(79-105-46-19-12-20-47-105)166(261)226-136(91-236)174(269)211-120(152(196)247)76-102-40-13-9-14-41-102)231-163(258)124(75-101(7)8)214-153(248)112(52-25-31-63-186)204-164(259)125(77-103-42-15-10-16-43-103)217-162(257)123(74-100(5)6)213-154(249)113(53-26-32-64-187)207-173(268)135(90-235)227-179(141)274)180(275)232-138(176(271)210-119(58-37-69-199-185(197)198)183(278)233-70-38-59-143(233)181(276)209-117(155(250)212-121)57-30-36-68-191)93-281-280-92-137(202-148(240)87-192)175(270)215-122(73-99(3)4)161(256)208-118(61-62-149(241)242)159(254)216-126(78-104-44-17-11-18-45-104)165(260)219-129(81-107-89-201-111-51-24-22-49-109(107)111)168(263)220-128(80-106-88-200-110-50-23-21-48-108(106)110)167(262)205-115(157(252)228-140)55-28-34-66-189/h9-24,40-51,88-89,98-101,112-144,200-201,235-236H,25-39,52-87,90-97,186-192H2,1-8H3,(H2,193,237)(H2,194,238)(H2,195,239)(H2,196,247)(H,202,240)(H,203,255)(H,204,259)(H,205,262)(H,206,266)(H,207,268)(H,208,256)(H,209,276)(H,210,271)(H,211,269)(H,212,250)(H,213,249)(H,214,248)(H,215,270)(H,216,254)(H,217,257)(H,218,264)(H,219,260)(H,220,263)(H,221,272)(H,222,265)(H,223,267)(H,224,277)(H,225,273)(H,226,261)(H,227,274)(H,228,252)(H,229,251)(H,230,253)(H,231,258)(H,232,275)(H,241,242)(H,243,244)(H,245,246)(H4,197,198,199)
InChIKey
WVDNTWXIIKNMHY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of GsMTx4
CAS: 1209500-46-8
CID: 90488987
Formula: C185H273N49O45S6
MW: 4096
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight4096
XLogP3-12.7
Hydrogen Bond Donor Count52
Hydrogen Bond Acceptor Count59
Rotatable Bond Count75
Exact Mass4093.8937997
Monoisotopic Mass4092.8904448
Topological Polar Surface Area1690 Ų
Heavy Atom Count285
Formal Charge0
Complexity9620
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count33
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B5762-5GsMTx4
B8792-1GsMTx4 TFA
T37697D-GsMTx4
A16103-10GsMTx4 10mg

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