CHEBI:113540 - N-[2-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamic acid tert-butyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[2-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamic acid tert-butyl ester
ChEBI ID CHEBI:113540
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H31N3O5
Net Charge 0
Average Mass 357.446
Monoisotopic Mass 357.22637
InChI InChI=1S/C17H31N3O5/c1-10(2)12(9-21)19-15(23)14(11(3)4)20-13(22)8-18-16(24)25-17(5,6)7/h9-12,14H,8H2,1-7H3,(H,18,24)(H,19,23)(H,20,22)/t12-,14+/m1/s1
InChIKey XNZHJADQXXCSFV-OCCSQVGLSA-N
SMILES CC(C)[C@@H](C=O)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)OC(C)(C)C
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 N-[2-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamic acid tert-butyl ester (CHEBI:113540) is a peptide (CHEBI:16670)
Manual Xref Database
LSM-24957 LINCS
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