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CHEBI:92330 - (3S)-3-cyano-3-[[[(2S)-1-[(2S)-2-[[(3,5-dichlorophenyl)-oxomethyl]amino]-3,3-dimethyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid

ChEBI IDCHEBI:92330
ChEBI Name(3S)-3-cyano-3-[[[(2S)-1-[(2S)-2-[[(3,5-dichlorophenyl)-oxomethyl]amino]-3,3-dimethyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid
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DownloadsMolfile
FormulaC22H26Cl2N4O5
Net Charge0
Average Mass497.379
Monoisotopic Mass496.12803
SMILESCC(C)(C)[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C#N)CC(=O)O
InChIInChI=1S/C22H26Cl2N4O5/c1-22(2,3)18(27-19(31)12-7-13(23)9-14(24)8-12)21(33)28-6-4-5-16(28)20(32)26-15(11-25)10-17(29)30/h7-9,15-16,18H,4-6,10H2,1-3H3,(H,26,32)(H,27,31)(H,29,30)/t15-,16-,18+/m0/s1
InChIKeyMCPPWGDCRZSWBJ-XYJFISCASA-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)-2-[[(3,5-dichlorophenyl)-oxomethyl]amino]-3,3-dimethyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid (CHEBI:92330) is a peptide (CHEBI:16670)
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