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CHEBI:211947 - Phe+CO[Lys+Val+Hty+MeGly+Phe]

ChEBI IDCHEBI:211947
ChEBI NamePhe+CO[Lys+Val+Hty+MeGly+Phe]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H55N7O9
Net Charge0
Average Mass813.953
Monoisotopic Mass813.40613
SMILESCC(C)C1NC(=O)C(NC(=O)NC(Cc2ccccc2)C(=O)O)CCCCNC(=O)C(Cc2ccccc2)NC(=O)CN(C)C(=O)C(CCc2ccc(O)cc2)NC1=O
InChIInChI=1S/C43H55N7O9/c1-27(2)37-40(55)46-33(22-19-28-17-20-31(51)21-18-28)41(56)50(3)26-36(52)45-34(24-29-12-6-4-7-13-29)38(53)44-23-11-10-16-32(39(54)49-37)47-43(59)48-35(42(57)58)25-30-14-8-5-9-15-30/h4-9,12-15,17-18,20-21,27,32-35,37,51H,10-11,16,19,22-26H2,1-3H3,(H,44,53)(H,45,52)(H,46,55)(H,49,54)(H,57,58)(H2,47,48,59)
InChIKeyAUCUVWYLFGPOMT-UHFFFAOYSA-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)
Phe+CO[Lys+Val+Hty+MeGly+Phe] (CHEBI:211947) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
2-[[3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-7-methyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid
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