Ac-Cha-Arg-Tic-Met-betaPhPro-NH2 (CHEBI:60970)

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CHEBI:60970 - Ac-Cha-Arg-Tic-Met-βPhPro-NH₂

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ChEBI ID	CHEBI:60970
ChEBI Name	Ac-Cha-Arg-Tic-Met-βPhPro-NH₂
Stars
ASCII Name	Ac-Cha-Arg-Tic-Met-betaPhPro-NH2
Definition	A synthetic pentapeptide comprising Ac-Cha, Arg, Tic, Met and βPhPro-NH₂ residues coupled in sequence.
Last Modified	14 January 2011
Submitter	Steve
Downloads	Molfile

Formula	C43H61N9O6S
Net Charge	0
Average Mass	832.085
Monoisotopic Mass	831.44655
SMILES	CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1CCCCC1)NC(C)=O)C(=O)N1CC[C@H](c2ccccc2)[C@H]1C(N)=O
InChI	InChI=1S/C43H61N9O6S/c1-27(53)48-35(24-28-12-5-3-6-13-28)39(55)49-33(18-11-21-47-43(45)46)42(58)52-26-31-17-10-9-16-30(31)25-36(52)40(56)50-34(20-23-59-2)41(57)51-22-19-32(37(51)38(44)54)29-14-7-4-8-15-29/h4,7-10,14-17,28,32-37H,3,5-6,11-13,18-26H2,1-2H3,(H2,44,54)(H,48,53)(H,49,55)(H,50,56)(H4,45,46,47)/t32-,33+,34+,35+,36+,37+/m1/s1
InChIKey	UPOFTEGYDVSUOZ-PSENWEFQSA-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-Arg-Tic-Met-βPhPro-NH₂ (CHEBI:60970) is a pentapeptide (CHEBI:48545)

IUPAC Name
N-{[(3S)-2-(N-acetyl-3-cyclohexyl-L-alanyl-L-arginyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonyl}-L-methionyl-(3R)-3-phenyl-L-prolinamide

Synonym	Source
Ac-(Cha)R(Tic)M(βPhPro)-NH₂	ChEBI

Citations