1-[(3S,9S,10S)-9-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-12-[(2S)-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-(3,5-dimethyl-4-isoxazolyl)urea (CHEBI:130781)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:130781 - 1-[(3S,9S,10S)-9-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-12-[(2S)-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-(3,5-dimethyl-4-isoxazolyl)urea

Take structure to advanced search

ChEBI ID	CHEBI:130781
ChEBI Name	1-[(3S,9S,10S)-9-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-12-[(2S)-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-(3,5-dimethyl-4-isoxazolyl)urea
Stars
Last Modified	3 March 2016
Downloads	Molfile

Formula	C34H46ClN5O8S
Net Charge	0
Average Mass	720.289
Monoisotopic Mass	719.27556
SMILES	Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)S(=O)(=O)c1ccc(Cl)cc1)OCCCC[C@H](C)O2
InChI	InChI=1S/C34H46ClN5O8S/c1-21-18-40(22(2)20-41)33(42)29-17-27(36-34(43)37-32-24(4)38-48-25(32)5)12-15-30(29)47-23(3)9-7-8-16-46-31(21)19-39(6)49(44,45)28-13-10-26(35)11-14-28/h10-15,17,21-23,31,41H,7-9,16,18-20H2,1-6H3,(H2,36,37,43)/t21-,22-,23-,31+/m0/s1
InChIKey	XQVZVPLVZQHPJK-UVOQVYJZSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(3S,9S,10S)-9-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-12-[(2S)-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-(3,5-dimethyl-4-isoxazolyl)urea (CHEBI:130781) is a azamacrocycle (CHEBI:52898)
	1-[(3S,9S,10S)-9-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-12-[(2S)-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-(3,5-dimethyl-4-isoxazolyl)urea (CHEBI:130781) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-42330	LINCS