Ac-Cha-Gpg-Tic-Met-NH2 (CHEBI:60966)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:60966 - Ac-Cha-Gpg-Tic-Met-NH₂

Take structure to advanced search

ChEBI ID	CHEBI:60966
ChEBI Name	Ac-Cha-Gpg-Tic-Met-NH₂
Stars
ASCII Name	Ac-Cha-Gpg-Tic-Met-NH2
Definition	A synthetic tetrapeptide comprising Ac-Cha, Cpg, Tic and Met-NH₂ residues coupled in sequence.
Last Modified	14 January 2011
Submitter	Steve
Downloads	Molfile

Formula	C34H52N8O5S
Net Charge	0
Average Mass	684.908
Monoisotopic Mass	684.37814
SMILES	CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(C)=O)C1CCN(C(=N)N)CC1)C(N)=O
InChI	InChI=1S/C34H52N8O5S/c1-21(43)38-27(18-22-8-4-3-5-9-22)31(45)40-29(23-12-15-41(16-13-23)34(36)37)33(47)42-20-25-11-7-6-10-24(25)19-28(42)32(46)39-26(30(35)44)14-17-48-2/h6-7,10-11,22-23,26-29H,3-5,8-9,12-20H2,1-2H3,(H2,35,44)(H3,36,37)(H,38,43)(H,39,46)(H,40,45)/t26-,27-,28-,29-/m0/s1
InChIKey	YRARGFURTNXRCG-DZUOILHNSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Ac-Cha-Gpg-Tic-Met-NH₂ (CHEBI:60966) is a tetrapeptide (CHEBI:48030)

IUPAC Name
(3S)-2-[(2S)-2-[(N-acetyl-3-cyclohexyl-L-alanyl)amino]-2-(1-carbamimidoylpiperidin-4-yl)acetyl]-N-[(2S)-1-amino-4-(methylsulfanyl)-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Synonyms	Source
AcChaGpgTicMetNH2	ChEBI
Ac-(Cha)(Gpg)(Tic)M-NH₂	ChEBI

Citations