N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:111736)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:111736 - N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-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:111736
ChEBI Name	N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide
Stars
Downloads	Molfile

Formula	C24H38N4O5
Net Charge	0
Average Mass	462.591
Monoisotopic Mass	462.28422
SMILES	CNC[C@H]1Oc2ccc(NC(=O)CCN3CCOCC3)cc2CC(=O)N([C@@H](C)CO)C[C@@H]1C
InChI	InChI=1S/C24H38N4O5/c1-17-15-28(18(2)16-29)24(31)13-19-12-20(4-5-21(19)33-22(17)14-25-3)26-23(30)6-7-27-8-10-32-11-9-27/h4-5,12,17-18,22,25,29H,6-11,13-16H2,1-3H3,(H,26,30)/t17-,18-,22+/m0/s1
InChIKey	QKNVOCCOOAXREN-NPPFBWRTSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:111736) has functional parent β-amino acid (CHEBI:33706)
	N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:111736) is a organonitrogen compound (CHEBI:35352)
	N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:111736) is a organooxygen compound (CHEBI:36963)

Manual Xrefs	Databases
LSM-23150	LINCS