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CHEBI:93499 - 1-[2-[[(2,3-dihydro-1H-inden-5-ylamino)-oxomethyl]amino]-2-methyl-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester

ChEBI IDCHEBI:93499
ChEBI Name1-[2-[[(2,3-dihydro-1H-inden-5-ylamino)-oxomethyl]amino]-2-methyl-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester
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DownloadsMolfile
FormulaC22H31N3O4
Net Charge0
Average Mass401.507
Monoisotopic Mass401.23146
SMILESCCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)Nc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C22H31N3O4/c1-4-29-19(26)16-10-12-25(13-11-16)20(27)22(2,3)24-21(28)23-18-9-8-15-6-5-7-17(15)14-18/h8-9,14,16H,4-7,10-13H2,1-3H3,(H2,23,24,28)
InChIKeyJMTZZMQGTYZLPB-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
1-[2-[[(2,3-dihydro-1H-inden-5-ylamino)-oxomethyl]amino]-2-methyl-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester (CHEBI:93499) is a N-acyl-amino acid (CHEBI:51569)
Manual XrefsDatabases
LSM-3920LINCS