1-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea (CHEBI:123801)

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CHEBI:123801 - 1-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea

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ChEBI ID	CHEBI:123801
ChEBI Name	1-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea
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Downloads	Molfile

Formula	C29H42N4O5
Net Charge	0
Average Mass	526.678
Monoisotopic Mass	526.31552
SMILES	CNC[C@@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C
InChI	InChI=1S/C29H42N4O5/c1-20-18-33(21(2)19-34)28(35)25-16-24(32-29(36)31-23-11-6-5-7-12-23)13-14-26(25)38-22(3)10-8-9-15-37-27(20)17-30-4/h5-7,11-14,16,20-22,27,30,34H,8-10,15,17-19H2,1-4H3,(H2,31,32,36)/t20-,21-,22-,27-/m0/s1
InChIKey	HNFJEPMYRFFBAZ-LFYAFONDSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea (CHEBI:123801) is a azamacrocycle (CHEBI:52898)
	1-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea (CHEBI:123801) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-35243	LINCS