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CHEBI:93286 - (3S)-3-cyano-3-[[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2-methylphenyl)-oxomethyl]amino]-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid

ChEBI IDCHEBI:93286
ChEBI Name(3S)-3-cyano-3-[[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2-methylphenyl)-oxomethyl]amino]-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid
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DownloadsMolfile
FormulaC23H30N4O5
Net Charge0
Average Mass442.516
Monoisotopic Mass442.22162
SMILESCc1ccccc1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C#N)CC(=O)O)C(C)(C)C
InChIInChI=1S/C23H30N4O5/c1-14-8-5-6-9-16(14)20(30)26-19(23(2,3)4)22(32)27-11-7-10-17(27)21(31)25-15(13-24)12-18(28)29/h5-6,8-9,15,17,19H,7,10-12H2,1-4H3,(H,25,31)(H,26,30)(H,28,29)/t15-,17-,19+/m0/s1
InChIKeyXDVYQRKWCDXRJA-VDZJLULYSA-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)
(3S)-3-cyano-3-[[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2-methylphenyl)-oxomethyl]amino]-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid (CHEBI:93286) is a peptide (CHEBI:16670)
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