Ac-Val-Chg-Arg-Tic-Phe-NH2 (CHEBI:76719)

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CHEBI:76719 - Ac-Val-Chg-Arg-Tic-Phe-NH₂

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ChEBI ID	CHEBI:76719
ChEBI Name	Ac-Val-Chg-Arg-Tic-Phe-NH₂
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ASCII Name	Ac-Val-Chg-Arg-Tic-Phe-NH2
Definition	A synthetic pentapeptide comprising N-acetyl-L-valine (Ac-Val), N-cyclohexylglycine (Chg), L-arginine (Arg), (2S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (Tic)and L-phenylalaninamide (Phe-NH₂) residues coupled in sequence.
Last Modified	20 January 2014
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C40H57N9O6
Net Charge	0
Average Mass	759.953
Monoisotopic Mass	759.44318
SMILES	CC(=O)N[C@H](C(=O)N(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C1CCCCC1)C(C)C
InChI	InChI=1S/C40H57N9O6/c1-25(2)35(45-26(3)50)39(55)48(30-17-8-5-9-18-30)24-34(51)46-31(19-12-20-44-40(42)43)38(54)49-23-29-16-11-10-15-28(29)22-33(49)37(53)47-32(36(41)52)21-27-13-6-4-7-14-27/h4,6-7,10-11,13-16,25,30-33,35H,5,8-9,12,17-24H2,1-3H3,(H2,41,52)(H,45,50)(H,46,51)(H,47,53)(H4,42,43,44)/t31-,32-,33-,35-/m0/s1
InChIKey	NRHMIZFGJDOCJV-TUCRWICHSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Ac-Val-Chg-Arg-Tic-Phe-NH₂ (CHEBI:76719) is a pentapeptide (CHEBI:48545)

IUPAC Name
N-{[(3S)-2-(N-acetyl-L-valyl-N-cyclohexylglycyl-L-arginyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonyl}-L-phenylalaninamide

Synonyms	Source
Av-V-Chg-R-Tic-F-NH₂	ChEBI
PV-267	ChEBI

Citations