1-[(3R,9S,10S)-9-[(dimethylamino)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:123739)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:123739 - 1-[(3R,9S,10S)-9-[(dimethylamino)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:123739
ChEBI Name	1-[(3R,9S,10S)-9-[(dimethylamino)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
Downloads	Molfile

Formula	C29H45N5O6
Net Charge	0
Average Mass	559.708
Monoisotopic Mass	559.33698
SMILES	Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C)OCCCC[C@@H](C)O2
InChI	InChI=1S/C29H45N5O6/c1-18-15-34(19(2)17-35)28(36)24-14-23(30-29(37)31-27-21(4)32-40-22(27)5)11-12-25(24)39-20(3)10-8-9-13-38-26(18)16-33(6)7/h11-12,14,18-20,26,35H,8-10,13,15-17H2,1-7H3,(H2,30,31,37)/t18-,19-,20+,26+/m0/s1
InChIKey	YDWJBUOXSRVMJV-QBKLZVOZSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(3R,9S,10S)-9-[(dimethylamino)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:123739) is a azamacrocycle (CHEBI:52898)
	1-[(3R,9S,10S)-9-[(dimethylamino)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:123739) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-35181	LINCS