CHEBI:101353 - 1-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
ChEBI ID CHEBI:101353
Stars This entity has been manually annotated by a third party.
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Formula C27H39N5O4
Net Charge 0
Average Mass 497.631
Monoisotopic Mass 497.30020
InChI InChI=1S/C27H39N5O4/c1-6-11-29-27(34)30-22-9-10-23-24(13-22)36-18-20(3)32(16-21-8-7-12-28-14-21)15-19(2)25(35-5)17-31(4)26(23)33/h7-10,12-14,19-20,25H,6,11,15-18H2,1-5H3,(H2,29,30,34)/t19-,20+,25+/m1/s1
InChIKey CHKBOEGZXMMFCS-RNHFSVANSA-N
SMILES CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@H](CO2)C)CC3=CN=CC=C3)C)OC)C
ChEBI Ontology
Outgoing 1-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea (CHEBI:101353) is a azamacrocycle (CHEBI:52898)
1-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea (CHEBI:101353) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-12718 LINCS
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