1-[(3R,9R,10S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea (CHEBI:126146)

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CHEBI:126146 - 1-[(3R,9R,10S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea

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ChEBI ID	CHEBI:126146
ChEBI Name	1-[(3R,9R,10S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
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Downloads	Molfile

Formula	C33H48Cl2N4O5
Net Charge	0
Average Mass	651.676
Monoisotopic Mass	650.30018
SMILES	CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc1ccc(Cl)c(Cl)c1)OCCCC[C@@H](C)O2
InChI	InChI=1S/C33H48Cl2N4O5/c1-21(2)36-33(42)37-26-11-13-30-27(16-26)32(41)39(23(4)20-40)17-22(3)31(43-14-8-7-9-24(5)44-30)19-38(6)18-25-10-12-28(34)29(35)15-25/h10-13,15-16,21-24,31,40H,7-9,14,17-20H2,1-6H3,(H2,36,37,42)/t22-,23+,24+,31-/m0/s1
InChIKey	HKSFCOHXYYHSIL-WLCCTRHUSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(3R,9R,10S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea (CHEBI:126146) is a azamacrocycle (CHEBI:52898)
	1-[(3R,9R,10S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea (CHEBI:126146) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-37713	LINCS