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CHEBI:222547 - Cipralphelin

ChEBI IDCHEBI:222547
ChEBI NameCipralphelin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31N3O5
Net Charge0
Average Mass477.561
Monoisotopic Mass477.22637
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccccc1
InChIInChI=1S/C27H31N3O5/c1-19(25(32)29-22(27(34)35-2)18-21-12-7-4-8-13-21)28-26(33)23-14-9-17-30(23)24(31)16-15-20-10-5-3-6-11-20/h3-8,10-13,15-16,19,22-23H,9,14,17-18H2,1-2H3,(H,28,33)(H,29,32)/b16-15+/t19-,22+,23+/m1/s1
InChIKeyCCNOTKXBNBKSMQ-AZXRIZJNSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31327868)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cipralphelin (CHEBI:222547) is a peptide (CHEBI:16670)
IUPAC Name 
methyl (2S)-3-phenyl-2-[[(2R)-2-[[(2S)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoate
Manual XrefsDatabases
81163316ChemSpider