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CHEBI:40589 - 4-{[(2R,5S)-5-{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}-3-tert-butylbenzoic acid

ChEBI IDCHEBI:40589
ChEBI Name4-{[(2R,5S)-5-{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}-3-tert-butylbenzoic acid
Stars
ASCII Name4-{[(2R,5S)-5-{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}-3-tert-butylbenzoic acid
Last Modified16 May 2008
DownloadsMolfile
FormulaC22H33N3O4
Net Charge0
Average Mass403.523
Monoisotopic Mass403.24711
SMILES[H]OC(=O)c1c([H])c([H])c(OC([H])([H])[C@]2([H])N([H])[C@]([H])(C(=O)N3C([H])([H])C([H])([H])C([H])([H])[C@@]3([H])C([H])([H])N([H])[H])C([H])([H])C2([H])[H])c(C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])c1[H]
InChIInChI=1S/C22H33N3O4/c1-22(2,3)17-11-14(21(27)28)6-9-19(17)29-13-15-7-8-18(24-15)20(26)25-10-4-5-16(25)12-23/h6,9,11,15-16,18,24H,4-5,7-8,10,12-13,23H2,1-3H3,(H,27,28)/t15-,16+,18+/m1/s1
InChIKeyHSZIDSCIKNQFGX-RYRKJORJSA-N
ChEBI Ontology
Outgoing Relation(s)
4-{[(2R,5S)-5-{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}-3-tert-butylbenzoic acid (CHEBI:40589) has functional parent benzoic acid (CHEBI:30746)
4-{[(2R,5S)-5-{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}-3-tert-butylbenzoic acid (CHEBI:40589) is a N-acylpyrrolidine (CHEBI:46766)
Synonyms  Source
4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-3-TERT-BUTYLBENZOIC ACIDPDBeChem
4-{[(2R,5S)-5-{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}-3-tert-butylbenzoic acidPDBeChem
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