CHEBI:100638 - 1-[(4S,7R,8R)-5-[(2-fluorophenyl)-oxomethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea

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ChEBI Name 1-[(4S,7R,8R)-5-[(2-fluorophenyl)-oxomethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
ChEBI ID CHEBI:100638
Stars This entity has been manually annotated by a third party.
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Formula C28H37FN4O5
Net Charge 0
Average Mass 528.617
Monoisotopic Mass 528.27480
InChI InChI=1S/C28H37FN4O5/c1-6-13-30-28(36)31-20-11-12-24-22(14-20)26(34)32(4)16-25(37-5)18(2)15-33(19(3)17-38-24)27(35)21-9-7-8-10-23(21)29/h7-12,14,18-19,25H,6,13,15-17H2,1-5H3,(H2,30,31,36)/t18-,19+,25+/m1/s1
InChIKey IESMZGXEKVWDTA-WYEJZRMESA-N
SMILES CCCNC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)C(=O)C3=CC=CC=C3F)C
ChEBI Ontology
Outgoing 1-[(4S,7R,8R)-5-[(2-fluorophenyl)-oxomethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea (CHEBI:100638) is a azamacrocycle (CHEBI:52898)
1-[(4S,7R,8R)-5-[(2-fluorophenyl)-oxomethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea (CHEBI:100638) is a lactam (CHEBI:24995)
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