1-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea (CHEBI:103445)

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CHEBI:103445 - 1-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-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:103445
ChEBI Name	1-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-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	C32H49N5O5
Net Charge	0
Average Mass	583.774
Monoisotopic Mass	583.37337
SMILES	CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccncc1)OCCCC[C@H](C)O2
InChI	InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24-,25+,30-/m1/s1
InChIKey	YBLKRDGTGIUFGT-ZASNTINBSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea (CHEBI:103445) is a azamacrocycle (CHEBI:52898)
	1-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea (CHEBI:103445) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-14789	LINCS