N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:111549)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:111549 - N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:111549
ChEBI Name	N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide
Stars
Downloads	Molfile

Formula	C32H44N4O7
Net Charge	0
Average Mass	596.725
Monoisotopic Mass	596.32100
SMILES	C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)CCN3CCOCC3)ccc2O[C@@H]1CN(C)Cc1ccc2c(c1)OCO2
InChI	InChI=1S/C32H44N4O7/c1-22-17-36(23(2)20-37)32(39)16-25-15-26(33-31(38)8-9-35-10-12-40-13-11-35)5-7-27(25)43-30(22)19-34(3)18-24-4-6-28-29(14-24)42-21-41-28/h4-7,14-15,22-23,30,37H,8-13,16-21H2,1-3H3,(H,33,38)/t22-,23-,30+/m0/s1
InChIKey	NYPOLWMMHTZHKU-ZTNZZFSWSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:111549) has functional parent β-amino acid (CHEBI:33706)
	N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:111549) is a organonitrogen compound (CHEBI:35352)
	N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:111549) is a organooxygen compound (CHEBI:36963)

Manual Xrefs	Databases
LSM-22963	LINCS