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CHEBI:217618 - (2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid

ChEBI IDCHEBI:217618
ChEBI Name(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H35N5O7
Net Charge0
Average Mass505.572
Monoisotopic Mass505.25365
SMILESCC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C24H35N5O7/c1-13(2)20(23(34)29-11-3-4-18(29)24(35)36)28-22(33)17(9-10-19(26)31)27-21(32)16(25)12-14-5-7-15(30)8-6-14/h5-8,13,16-18,20,30H,3-4,9-12,25H2,1-2H3,(H2,26,31)(H,27,32)(H,28,33)(H,35,36)/t16-,17-,18-,20-/m0/s1
InChIKeyOXDRUVUDFAXCKB-JPLJXNOCSA-N
Species of MetaboliteComponentSourceComments
Penicillium citrinum (ncbitaxon:5077) - PubMed (29474977)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid (CHEBI:217618) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
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