CHEBI:100226 - 1-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[[4-(2-pyridinyl)phenyl]methyl]-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-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[[4-(2-pyridinyl)phenyl]methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
ChEBI ID CHEBI:100226
Stars This entity has been manually annotated by a third party.
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Formula C33H43N5O4
Net Charge 0
Average Mass 573.727
Monoisotopic Mass 573.33150
InChI InChI=1S/C33H43N5O4/c1-6-16-35-33(40)36-27-14-15-30-28(18-27)32(39)37(4)21-31(41-5)23(2)19-38(24(3)22-42-30)20-25-10-12-26(13-11-25)29-9-7-8-17-34-29/h7-15,17-18,23-24,31H,6,16,19-22H2,1-5H3,(H2,35,36,40)/t23-,24+,31-/m1/s1
InChIKey DHPIXDXHWYRYQT-ULPIOCOXSA-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=C(C=C3)C4=CC=CC=N4)C
ChEBI Ontology
Outgoing 1-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[[4-(2-pyridinyl)phenyl]methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea (CHEBI:100226) is a azamacrocycle (CHEBI:52898)
1-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[[4-(2-pyridinyl)phenyl]methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea (CHEBI:100226) is a lactam (CHEBI:24995)
Manual Xref Database
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