1-[(3S,9R,10S)-9-[[(4-fluorophenyl)sulfonyl-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-(4-methoxyphenyl)urea (CHEBI:130376)

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CHEBI:130376 - 1-[(3S,9R,10S)-9-[[(4-fluorophenyl)sulfonyl-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-(4-methoxyphenyl)urea

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ChEBI ID	CHEBI:130376
ChEBI Name	1-[(3S,9R,10S)-9-[[(4-fluorophenyl)sulfonyl-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-(4-methoxyphenyl)urea
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C36H47FN4O8S
Net Charge	0
Average Mass	714.857
Monoisotopic Mass	714.30986
SMILES	COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@H](C)O3)cc1
InChI	InChI=1S/C36H47FN4O8S/c1-24-21-41(25(2)23-42)35(43)32-20-29(39-36(44)38-28-11-14-30(47-5)15-12-28)13-18-33(32)49-26(3)8-6-7-19-48-34(24)22-40(4)50(45,46)31-16-9-27(37)10-17-31/h9-18,20,24-26,34,42H,6-8,19,21-23H2,1-5H3,(H2,38,39,44)/t24-,25+,26-,34-/m0/s1
InChIKey	PHOUKONWRNCAOF-OJQFFXEZSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(3S,9R,10S)-9-[[(4-fluorophenyl)sulfonyl-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-(4-methoxyphenyl)urea (CHEBI:130376) is a azamacrocycle (CHEBI:52898)
	1-[(3S,9R,10S)-9-[[(4-fluorophenyl)sulfonyl-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-(4-methoxyphenyl)urea (CHEBI:130376) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-41925	LINCS