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CHEBI:41313 - allyl {(1S)-1-[(5-{4-[(2,3-dihydro-1H-inden-2-ylamino)carbonyl]benzyl}-1,2,4-oxadiazol-3-yl)carbonyl]-3-pyrrolidin-3-ylpropyl}carbamate

ChEBI IDCHEBI:41313
ChEBI Nameallyl {(1S)-1-[(5-{4-[(2,3-dihydro-1H-inden-2-ylamino)carbonyl]benzyl}-1,2,4-oxadiazol-3-yl)carbonyl]-3-pyrrolidin-3-ylpropyl}carbamate
Stars
ASCII Nameallyl {(1S)-1-[(5-{4-[(2,3-dihydro-1H-inden-2-ylamino)carbonyl]benzyl}-1,2,4-oxadiazol-3-yl)carbonyl]-3-pyrrolidin-3-ylpropyl}carbamate
Last Modified16 May 2008
DownloadsMolfile
FormulaC31H35N5O5
Net Charge0
Average Mass557.651
Monoisotopic Mass557.26382
SMILES[H]C([H])=C([H])C([H])([H])OC(=O)N([H])[C@@]([H])(C(=O)c1noc(C([H])([H])c2c([H])c([H])c(C(=O)N([H])C3([H])C([H])([H])c4c([H])c([H])c([H])c([H])c4C3([H])[H])c([H])c2[H])n1)C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])N([H])C([H])([H])C1([H])[H]
InChIInChI=1S/C31H35N5O5/c1-2-15-40-31(39)34-26(12-9-21-13-14-32-19-21)28(37)29-35-27(41-36-29)16-20-7-10-22(11-8-20)30(38)33-25-17-23-5-3-4-6-24(23)18-25/h2-8,10-11,21,25-26,32H,1,9,12-19H2,(H,33,38)(H,34,39)/t21-,26-/m1/s1
InChIKeyYCRRSNQAJBEKFO-QFQXNSOFSA-N
ChEBI Ontology
Outgoing Relation(s)
allyl {(1S)-1-[(5-{4-[(2,3-dihydro-1H-inden-2-ylamino)carbonyl]benzyl}-1,2,4-oxadiazol-3-yl)carbonyl]-3-pyrrolidin-3-ylpropyl}carbamate (CHEBI:41313) is a 1,2,4-oxadiazole (CHEBI:46809)
allyl {(1S)-1-[(5-{4-[(2,3-dihydro-1H-inden-2-ylamino)carbonyl]benzyl}-1,2,4-oxadiazol-3-yl)carbonyl]-3-pyrrolidin-3-ylpropyl}carbamate (CHEBI:41313) is a carbamate ester (CHEBI:23003)
allyl {(1S)-1-[(5-{4-[(2,3-dihydro-1H-inden-2-ylamino)carbonyl]benzyl}-1,2,4-oxadiazol-3-yl)carbonyl]-3-pyrrolidin-3-ylpropyl}carbamate (CHEBI:41313) is a indanes (CHEBI:46940)
allyl {(1S)-1-[(5-{4-[(2,3-dihydro-1H-inden-2-ylamino)carbonyl]benzyl}-1,2,4-oxadiazol-3-yl)carbonyl]-3-pyrrolidin-3-ylpropyl}carbamate (CHEBI:41313) is a pyrrolidines (CHEBI:38260)
Synonyms  Source
ALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]-3-PYRROLIDIN-3-YLPROPYL}CARBAMATEPDBeChem
prop-2-en-1-yl {(1R)-1-({5-[4-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzyl]-1,2,4-oxadiazol-3-yl}carbonyl)-3-[(3R)-pyrrolidin-3-yl]propyl}carbamatePDBeChem
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