Drug Details

Name:

Histidyl-leucyl-aspartyl-isoleucyl-isoleucyl-tryptophan

PubChem ID:

Pathway:

InChI:

InChI=1/C39H57N9O9/c1-7-21(5)32(37(54)46-30(39(56)57)14-23-17-42-27-12-10-9-11-25(23)27)48-38(55)33(22(6)8-2)47-36(53)29(16-31(49)50)45-35(52)28(13-20(3)4)44-34(51)26(40)15-24-18-41-19-43-24/h9-12,17-22,26,28-30,32-33,42H,7-8,13-16,40H2,1-6H3,(H,41,43)(H,44,51)(H,45,52)(H,46,54)(H,47,53)(H,48,55)(H,49,50)(H,56,57)/t21-,22-,26-,28-,29-,30-,32-,33-/m0/s1/f/h43-49,56H

SMILES:

CC[C@@H](C)[C@@H](C(N[C@H](Cc1c[nH]c2ccccc12)C(O)=O)=O)NC([C@@H]([C@@H](C)(CC))NC([C@@H](CC(O)=O)NC([C@@H](CC(C)C)NC([C@@H](Cc1cnc[nH]1)N)=O)=O)=O)=O

Properties:

Formula:	C39H57N9O9	Atoms:	65
Molecular Weight:	795.925	Rotatable Bonds:	28
H-bond Acceptors:	18	H-bond Donors:	0
logP:	3.7799

Targets:

Name	Uniprot ID	Source	References	Interaction
Endothelin B receptor	EDNRB_RAT	BindingDB	-	shows
Endothelin-1 receptor	EDNRA_HUMAN	BindingDB	-	shows
Endothelin-1 receptor	EDNRA_RAT	BindingDB	-	shows

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Synonyms:

(3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-meth

121377-67-1

AC1L2VLI

CHEBI:153764

CHEMBL34540

CID129432

Endothelin (16-21)

ET-(16-21)

His-leu-asp-ile-ile-trp

Histidyl-leucyl-aspartyl-isoleucyl-isoleucyl-tryptophan

L-Tryptophan, N-(N-(N-(N-(N-L-histidyl-L-leucyl)-L-alpha-aspartyl)-L-isoleucyl)-L-isoleucyl)-

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