CHEBI:94645 - [(1S)-1-[[(2R)-2-(1,4-dihydropyrazine-2-carbonylamino)-3-phenylpropanoyl]amino]-3-methylbutyl]boronic acid

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ChEBI Name [(1S)-1-[[(2R)-2-(1,4-dihydropyrazine-2-carbonylamino)-3-phenylpropanoyl]amino]-3-methylbutyl]boronic acid
ChEBI ID CHEBI:94645
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H27BN4O4
Net Charge 0
Average Mass 386.254
Monoisotopic Mass 386.21254
InChI InChI=1S/C19H27BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,21-22,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m1/s1
InChIKey RFGAQTOFZHCFHG-NVXWUHKLSA-N
SMILES B([C@@H](CC(C)C)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)C2=CNC=CN2)(O)O
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 [(1S)-1-[[(2R)-2-(1,4-dihydropyrazine-2-carbonylamino)-3-phenylpropanoyl]amino]-3-methylbutyl]boronic acid (CHEBI:94645) is a peptide (CHEBI:16670)
Manual Xref Database
LSM-5615 LINCS
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