1-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-3-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea (CHEBI:98310)

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CHEBI:98310 - 1-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-3-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea

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ChEBI ID	CHEBI:98310
ChEBI Name	1-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-3-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
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Downloads	Molfile

Formula	C27H39N5O4
Net Charge	0
Average Mass	497.640
Monoisotopic Mass	497.30020
SMILES	CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cccnc1)C[C@H](C)[C@H](OC)CN(C)C2=O
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+/m0/s1
InChIKey	CHKBOEGZXMMFCS-ZYLNGJIFSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-3-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea (CHEBI:98310) is a azamacrocycle (CHEBI:52898)
	1-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-3-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea (CHEBI:98310) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-9689	LINCS