1-[[(3S,9S,10S)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-propan-2-ylurea (CHEBI:103564)

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CHEBI:103564 - 1-[[(3S,9S,10S)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-propan-2-ylurea

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ChEBI ID	CHEBI:103564
ChEBI Name	1-[[(3S,9S,10S)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-propan-2-ylurea
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Downloads	Molfile

Formula	C28H48N4O5
Net Charge	0
Average Mass	520.715
Monoisotopic Mass	520.36247
SMILES	CC(C)NC(=O)N(C)C[C@H]1OCCCC[C@H](C)Oc2ccc(N(C)C)cc2C(=O)N([C@H](C)CO)C[C@@H]1C
InChI	InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21+,22-,26+/m0/s1
InChIKey	KNZOATPLJIEOET-IMIIHFCZSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[[(3S,9S,10S)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-propan-2-ylurea (CHEBI:103564) is a azamacrocycle (CHEBI:52898)
	1-[[(3S,9S,10S)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-propan-2-ylurea (CHEBI:103564) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-14908	LINCS