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CHEBI:230875 - H-Phe-D-met-arg-phe-NH2

ChEBI IDCHEBI:230875
ChEBI NameH-Phe-D-met-arg-phe-NH2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42N8O4S
Net Charge0
Average Mass598.774
Monoisotopic Mass598.30497
SMILESCSCC[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C29H42N8O4S/c1-42-16-14-23(35-26(39)21(30)17-19-9-4-2-5-10-19)28(41)36-22(13-8-15-34-29(32)33)27(40)37-24(25(31)38)18-20-11-6-3-7-12-20/h2-7,9-12,21-24H,8,13-18,30H2,1H3,(H2,31,38)(H,35,39)(H,36,41)(H,37,40)(H4,32,33,34)/t21-,22-,23+,24-/m0/s1
InChIKeyWCSPDMCSKYUFBX-XQUALCHDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
H-Phe-D-met-arg-phe-NH2 (CHEBI:230875) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-[[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylsulanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanamide
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32816657ChemSpider