N-[(3S,9S,10R)-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]-2-phenylacetamide (CHEBI:117697)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:117697 - N-[(3S,9S,10R)-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]-2-phenylacetamide

Take structure to advanced search

ChEBI ID	CHEBI:117697
ChEBI Name	N-[(3S,9S,10R)-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]-2-phenylacetamide
Stars
Downloads	Molfile

Formula	C31H45N3O5
Net Charge	0
Average Mass	539.717
Monoisotopic Mass	539.33592
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2O[C@@H](C)CCCCO[C@@H]1CN(C)C
InChI	InChI=1S/C31H45N3O5/c1-22-19-34(23(2)21-35)31(37)27-18-26(32-30(36)17-25-12-7-6-8-13-25)14-15-28(27)39-24(3)11-9-10-16-38-29(22)20-33(4)5/h6-8,12-15,18,22-24,29,35H,9-11,16-17,19-21H2,1-5H3,(H,32,36)/t22-,23+,24+,29-/m1/s1
InChIKey	ZJHDPNYYPDHDNF-CAFXQFFASA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3S,9S,10R)-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]-2-phenylacetamide (CHEBI:117697) is a azamacrocycle (CHEBI:52898)
	N-[(3S,9S,10R)-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]-2-phenylacetamide (CHEBI:117697) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-29146	LINCS