CHEBI:104509 - 1-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-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-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
ChEBI ID CHEBI:104509
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/c1-6-12-29-27(34)30-21-10-11-24-23(14-21)26(33)31(4)17-25(35-5)19(2)15-32(20(3)18-36-24)16-22-9-7-8-13-28-22/h7-11,13-14,19-20,25H,6,12,15-18H2,1-5H3,(H2,29,30,34)/t19-,20+,25-/m0/s1
InChIKey FHXMSJACTAYBFY-DFIYOIEZSA-N
SMILES CCCNC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=CC=N3)C
ChEBI Ontology
Outgoing 1-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea (CHEBI:104509) is a azamacrocycle (CHEBI:52898)
1-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea (CHEBI:104509) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-15873 LINCS
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