GsMTx4 (CHEBI:194078)

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CHEBI:194078 - GsMTx4

ChEBI ID	CHEBI:194078
ChEBI Name	GsMTx4
Stars
Definition	Peptide that acts as a mechanosensitive ion channel blocker.
Submitter	Ceri
Downloads	Molfile

Formula	C185H273N49O45S6
Net Charge	0
Average Mass	4095.919
Monoisotopic Mass	4092.89044
SMILES	CC(C)CC1NC(=O)C(NC(=O)CN)CSSCC2NC(=O)C3CSSCC(C(=O)NC(CC(N)=O)C(=O)NC(Cc4ccccc4)C(=O)NC(CO)C(=O)NC(Cc4ccccc4)C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(Cc4ccccc4)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CSSCC(NC(=O)C(CCCCN)NC(=O)C(Cc4cnc5ccccc45)NC(=O)C(Cc4cnc5ccccc45)NC(=O)C(Cc4ccccc4)NC(=O)C(CCC(=O)O)NC1=O)C(=O)NC(CC(N)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)N3)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC2=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

Roles Classification

Chemical Role:

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	GsMTx4 (CHEBI:194078) is a polypeptide (CHEBI:15841)

IUPAC Name
3-[77-[(2-aminoacetyl)amino]-30-[[3-amino-1-[[2-[[2-[(2-amino-1-benzyl-2-oxo-ethyl)amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]carbamoyl]-22,36,45,54,60,95-hexakis(4-aminobutyl)-4,13-bis(2-amino-2-oxo-ethyl)-39,86-dibenzyl-16,19-bis(carboxymethyl)-69-(3-guanidinopropyl)-48-(hydroxymethyl)-89,92-bis(1H-indol-3-ylmethyl)-33,42,57,80-tetraisobutyl-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 acid3-[77-[(2-aminoacetyl)amino]-30-[[3-amino-1-[[2-[[2-[(2-amino-1-benzyl-2-oxo-ethyl)amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]carbamoyl]-22,36,45,54,60,95-hexakis(4-aminobutyl)-4,13-bis(2-amino-2-oxo-ethyl)-39,86-dibenzyl-16,19-bis(carboxymethyl)-69-(3-guanidinopropyl)-48-(hydroxymethyl)-89,92-bis(1H-indol-3-ylmethyl)-33,42,57,80-tetraisobutyl-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 acidv

IUPAC Name

3-[77-[(2-aminoacetyl)amino]-30-[[3-amino-1-[[2-[[2-[(2-amino-1-benzyl-2-oxo-ethyl)amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]carbamoyl]-22,36,45,54,60,95-hexakis(4-aminobutyl)-4,13-bis(2-amino-2-oxo-ethyl)-39,86-dibenzyl-16,19-bis(carboxymethyl)-69-(3-guanidinopropyl)-48-(hydroxymethyl)-89,92-bis(1H-indol-3-ylmethyl)-33,42,57,80-tetraisobutyl-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 acid3-[77-[(2-aminoacetyl)amino]-30-[[3-amino-1-[[2-[[2-[(2-amino-1-benzyl-2-oxo-ethyl)amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]carbamoyl]-22,36,45,54,60,95-hexakis(4-aminobutyl)-4,13-bis(2-amino-2-oxo-ethyl)-39,86-dibenzyl-16,19-bis(carboxymethyl)-69-(3-guanidinopropyl)-48-(hydroxymethyl)-89,92-bis(1H-indol-3-ylmethyl)-33,42,57,80-tetraisobutyl-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 acidv

Synonym	Source
CID:90488987	SUBMITTER

Registry Numbers	Sources
CAS:1209500-46-8	SUBMITTER

Citations