1-[[(3S,9R,10S)-16-[[(4-fluoroanilino)-oxomethyl]amino]-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:128649)

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CHEBI:128649 - 1-[[(3S,9R,10S)-16-[[(4-fluoroanilino)-oxomethyl]amino]-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:128649
ChEBI Name	1-[[(3S,9R,10S)-16-[[(4-fluoroanilino)-oxomethyl]amino]-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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Last Modified	3 March 2016
Downloads	Molfile

Formula	C33H48FN5O6
Net Charge	0
Average Mass	629.774
Monoisotopic Mass	629.35886
SMILES	CC(C)NC(=O)N(C)C[C@@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C
InChI	InChI=1S/C33H48FN5O6/c1-21(2)35-33(43)38(6)19-30-22(3)18-39(23(4)20-40)31(41)28-17-27(37-32(42)36-26-12-10-25(34)11-13-26)14-15-29(28)45-24(5)9-7-8-16-44-30/h10-15,17,21-24,30,40H,7-9,16,18-20H2,1-6H3,(H,35,43)(H2,36,37,42)/t22-,23+,24-,30-/m0/s1
InChIKey	DHTRKFATNYGVIW-PUMORYBASA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[[(3S,9R,10S)-16-[[(4-fluoroanilino)-oxomethyl]amino]-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:128649) is a azamacrocycle (CHEBI:52898)
	1-[[(3S,9R,10S)-16-[[(4-fluoroanilino)-oxomethyl]amino]-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:128649) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-40203	LINCS