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CHEBI:97396 - 1-[(5S,6S,9S)-8-(cyclopropylmethyl)-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-(2-fluorophenyl)urea

ChEBI IDCHEBI:97396
ChEBI Name1-[(5S,6S,9S)-8-(cyclopropylmethyl)-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-(2-fluorophenyl)urea
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DownloadsMolfile
FormulaC28H37FN4O4
Net Charge0
Average Mass512.626
Monoisotopic Mass512.27988
SMILESCO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@H](C)N(CC2CC2)C[C@@H]1C
InChIInChI=1S/C28H37FN4O4/c1-18-14-33(15-20-9-10-20)19(2)17-37-25-13-21(30-28(35)31-24-8-6-5-7-23(24)29)11-12-22(25)27(34)32(3)16-26(18)36-4/h5-8,11-13,18-20,26H,9-10,14-17H2,1-4H3,(H2,30,31,35)/t18-,19-,26+/m0/s1
InChIKeySXLNUQFFJOVPKX-LZJCXSABSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(5S,6S,9S)-8-(cyclopropylmethyl)-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-(2-fluorophenyl)urea (CHEBI:97396) is a azamacrocycle (CHEBI:52898)
1-[(5S,6S,9S)-8-(cyclopropylmethyl)-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-(2-fluorophenyl)urea (CHEBI:97396) is a lactam (CHEBI:24995)
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