Ac-Cha-Arg-Tic-Nle-betaPhPro-[S(oxaz)L]-NMe2 (CHEBI:60984)

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CHEBI:60984 - Ac-Cha-Arg-Tic-Nle-βPhPro-[S(oxaz)L]-NMe₂

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ChEBI ID	CHEBI:60984
ChEBI Name	Ac-Cha-Arg-Tic-Nle-βPhPro-[S(oxaz)L]-NMe₂
Stars
ASCII Name	Ac-Cha-Arg-Tic-Nle-betaPhPro-[S(oxaz)L]-NMe2
Definition	A synthetic six-membered oligopeptide comprising Ac-Cha, Arg, Tic, Nle, βPhPro and [S(oxaz)L]-NMe₂ residues coupled in sequence.
Last Modified	14 January 2011
Submitter	Steve
Downloads	Molfile

Formula	C52H73N11O9
Net Charge	0
Average Mass	996.224
Monoisotopic Mass	995.55927
SMILES	CCCC[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(=O)N[C@@H](CO)c1nc(C(=O)N(C)C)co1
InChI	InChI=1S/C52H73N11O9/c1-5-6-22-38(50(70)62-26-24-37(34-18-11-8-12-19-34)44(62)47(68)59-41(30-64)48-60-42(31-72-48)49(69)61(3)4)58-46(67)43-28-35-20-13-14-21-36(35)29-63(43)51(71)39(23-15-25-55-52(53)54)57-45(66)40(56-32(2)65)27-33-16-9-7-10-17-33/h8,11-14,18-21,31,33,37-41,43-44,64H,5-7,9-10,15-17,22-30H2,1-4H3,(H,56,65)(H,57,66)(H,58,67)(H,59,68)(H4,53,54,55)/t37-,38+,39+,40+,41+,43+,44+/m1/s1
InChIKey	YKGSWYUSIPJSTH-HKPHTJTESA-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-Nle-βPhPro-[S(oxaz)L]-NMe₂ (CHEBI:60984) is a oligopeptide (CHEBI:25676)

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

Synonyms	Source
AcChaArgTicNleβPhPro[S(oxaz)L]NMe₂	ChEBI
Ac-(Cha)R(Tic)(Nle)βPhPro[S(oxaz)L]-NMe₂	ChEBI

Citations