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CHEBI:40440 - methyl 4-{[({[(2R,5S)-5-{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methyl}amino)carbonyl]amino}benzoate

ChEBI IDCHEBI:40440
ChEBI Namemethyl 4-{[({[(2R,5S)-5-{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methyl}amino)carbonyl]amino}benzoate
Stars
ASCII Namemethyl 4-{[({[(2R,5S)-5-{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methyl}amino)carbonyl]amino}benzoate
Last Modified16 May 2008
DownloadsMolfile
FormulaC20H29N5O4
Net Charge0
Average Mass403.483
Monoisotopic Mass403.22195
SMILES[H]c1c([H])c(N([H])C(=O)N([H])C([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([H])c([H])c1C(=O)OC([H])([H])[H]
InChIInChI=1S/C20H29N5O4/c1-29-19(27)13-4-6-14(7-5-13)24-20(28)22-12-15-8-9-17(23-15)18(26)25-10-2-3-16(25)11-21/h4-7,15-17,23H,2-3,8-12,21H2,1H3,(H2,22,24,28)/t15-,16+,17+/m1/s1
InChIKeyUSDCNOQKDUFKRD-IKGGRYGDSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl 4-{[({[(2R,5S)-5-{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methyl}amino)carbonyl]amino}benzoate (CHEBI:40440) is a N-acylpyrrolidine (CHEBI:46766)
methyl 4-{[({[(2R,5S)-5-{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methyl}amino)carbonyl]amino}benzoate (CHEBI:40440) is a benzoate ester (CHEBI:36054)
Synonyms  Source
METHYL 4-{[({[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATEPDBeChem
methyl 4-[({[(2R,5S)-5-{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methyl}carbamoyl)amino]benzoatePDBeChem
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