CHEBI:95035 - (2R)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-quinolin-5-ylpyrrolidine-2-carboxamide

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ChEBI Name (2R)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-quinolin-5-ylpyrrolidine-2-carboxamide
ChEBI ID CHEBI:95035
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H31N5O3
Net Charge 0
Average Mass 425.525
Monoisotopic Mass 425.24269
InChI InChI=1S/C23H31N5O3/c1-14(2)20(27-21(29)15(3)24-4)23(31)28-13-7-11-19(28)22(30)26-18-10-5-9-17-16(18)8-6-12-25-17/h5-6,8-10,12,14-15,19-20,24H,7,11,13H2,1-4H3,(H,26,30)(H,27,29)/t15-,19+,20-/m0/s1
InChIKey PUQVAXDZGUENDK-BEVDRBHNSA-N
SMILES C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)NC2=CC=CC3=C2C=CC=N3)NC
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing (2R)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-quinolin-5-ylpyrrolidine-2-carboxamide (CHEBI:95035) is a peptide (CHEBI:16670)
Manual Xref Database
LSM-6273 LINCS
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