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CHEBI:43250 - 4-[(2R)-2-(aminomethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acid

Default Structure
ChEBI IDCHEBI:43250
ChEBI Name4-[(2R)-2-(aminomethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acid
Stars
ASCII Name4-[(2R)-2-(aminomethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acid
Last Modified20 June 2013
DownloadsMolfile
FormulaC17H29N3O4.H2
Net Charge0
Average Mass341.452
Monoisotopic Mass341.23146
SMILES[HH].[H]/C=C(C(=O)O[H])/C([H])=C(\CN1C(=O)C([H])([H])C([H])[C@]1(C([H])([H])O)C([H])([H])N([H])[H])N([H])C([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H]
InChIInChI=1S/C17H29N3O4.H2/c1-4-13(5-2)19-14(8-12(3)16(23)24)9-20-15(22)6-7-17(20,10-18)11-21;/h8,13,19,21H,3-7,9-11,18H2,1-2H3,(H,23,24);1H/b14-8+;/t17-;/m1./s1
InChIKeyRHGBJZGFSCYZRN-XSCGNCDQSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[(2R)-2-(aminomethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acid (CHEBI:43250) has functional parent benzoic acid (CHEBI:30746)
4-[(2R)-2-(aminomethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acid (CHEBI:43250) is a pyrrolidin-2-ones (CHEBI:74223)
Synonyms  Source
4-[(2R)-2-(aminomethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acidPDBeChem
4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACIDPDBeChem
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