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CHEBI:60986 - Ac-Cha-Gpg-Disc-Nle-βPhPro-[S(oxaz)L]-NMe2

ChEBI IDCHEBI:60986
ChEBI NameAc-Cha-Gpg-Disc-Nle-βPhPro-[S(oxaz)L]-NMe2
Stars
ASCII NameAc-Cha-Gpg-Disc-Nle-betaPhPro-[S(oxaz)L]-NMe2
DefinitionA synthetic six-membered oligopeptide composed of the non-natural Ac-Cha, Gpg, Disc, Nle, βPhPro and [S(oxaz)L]-NMe2 residues coupled in sequence.
Last Modified14 January 2011
SubmitterSteve
DownloadsMolfile
FormulaC53H73N11O9
Net Charge0
Average Mass1008.235
Monoisotopic Mass1007.55927
SMILESCCCC[C@H](NC(=O)[C@@H]1c2ccccc2CN1C(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(C)=O)C1CCN(C(=N)N)CC1)C(=O)N1CC[C@H](c2ccccc2)[C@H]1C(=O)N[C@@H](CO)c1nc(C(=O)N(C)C)co1
InChIInChI=1S/C53H73N11O9/c1-5-6-21-39(51(71)63-27-24-38(34-17-11-8-12-18-34)44(63)47(68)58-41(30-65)49-59-42(31-73-49)50(70)61(3)4)57-48(69)45-37-20-14-13-19-36(37)29-64(45)52(72)43(35-22-25-62(26-23-35)53(54)55)60-46(67)40(56-32(2)66)28-33-15-9-7-10-16-33/h8,11-14,17-20,31,33,35,38-41,43-45,65H,5-7,9-10,15-16,21-30H2,1-4H3,(H3,54,55)(H,56,66)(H,57,69)(H,58,68)(H,60,67)/t38-,39+,40+,41+,43+,44+,45+/m1/s1
InChIKeyOUOIXSGQETWBKO-NIGJHBLGSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ac-Cha-Gpg-Disc-Nle-βPhPro-[S(oxaz)L]-NMe2 (CHEBI:60986) is a oligopeptide (CHEBI:25676)
IUPAC Name 
N-({(3S)-2-[(2S)-2-[(N-acetyl-3-cyclohexyl-L-alanyl)amino]-2-(1-carbamimidoylpiperidin-4-yl)acetyl]isoindol-2-yl}carbonyl)-L-norleucyl-(3R)-N-{(1S)-1-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]-2-hydroxyethyl}-3-phenyl-L-prolinamide
Synonyms  Source
AcChaGpgDiscNleβPhPro[S(oxaz)L]NMe2ChEBI
Ac-(Cha)(Gpg)(Disc)(Nle)(βPhPro)[S(oxaz)L]-NMe2ChEBI
Citations