N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:124645)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124645 - N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]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:124645
ChEBI Name	N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide
Stars
Downloads	Molfile

Formula	C25H40N4O7S
Net Charge	0
Average Mass	540.683
Monoisotopic Mass	540.26177
SMILES	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(C)(=O)=O)Oc2ccc(NC(=O)CCN3CCOCC3)cc2CC1=O
InChI	InChI=1S/C25H40N4O7S/c1-18-15-29(19(2)17-30)25(32)14-20-13-21(26-24(31)7-8-28-9-11-35-12-10-28)5-6-22(20)36-23(18)16-27(3)37(4,33)34/h5-6,13,18-19,23,30H,7-12,14-17H2,1-4H3,(H,26,31)/t18-,19+,23-/m0/s1
InChIKey	BYWNQMINTGNSGE-YYDVJCTNSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:124645) has functional parent β-amino acid (CHEBI:33706)
	N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:124645) is a organonitrogen compound (CHEBI:35352)
	N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:124645) is a organooxygen compound (CHEBI:36963)

Manual Xrefs	Databases
LSM-36087	LINCS