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CHEBI:112054 - 1-[(5S,6R,9S)-8-(cyclopentylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea

ChEBI IDCHEBI:112054
ChEBI Name1-[(5S,6R,9S)-8-(cyclopentylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
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DownloadsMolfile
FormulaC27H44N4O4
Net Charge0
Average Mass488.673
Monoisotopic Mass488.33626
SMILESCCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CCCC1)C[C@@H](C)[C@H](OC)CN(C)C2=O
InChIInChI=1S/C27H44N4O4/c1-6-13-28-27(33)29-22-11-12-23-24(14-22)35-18-20(3)31(16-21-9-7-8-10-21)15-19(2)25(34-5)17-30(4)26(23)32/h11-12,14,19-21,25H,6-10,13,15-18H2,1-5H3,(H2,28,29,33)/t19-,20+,25-/m1/s1
InChIKeyMRCAHRJZOZLPQK-OHUGHZGNSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(5S,6R,9S)-8-(cyclopentylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea (CHEBI:112054) is a azamacrocycle (CHEBI:52898)
1-[(5S,6R,9S)-8-(cyclopentylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea (CHEBI:112054) is a lactam (CHEBI:24995)
Manual XrefsDatabases
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