N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:126029)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:126029 - N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)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:126029
ChEBI Name	N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide
Stars
Downloads	Molfile

Formula	C30H43N5O5
Net Charge	0
Average Mass	553.704
Monoisotopic Mass	553.32642
SMILES	C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccncc2)Oc2ccc(NC(=O)CCN3CCOCC3)cc2CC1=O
InChI	InChI=1S/C30H43N5O5/c1-22-18-35(23(2)21-36)30(38)17-25-16-26(32-29(37)8-11-34-12-14-39-15-13-34)4-5-27(25)40-28(22)20-33(3)19-24-6-9-31-10-7-24/h4-7,9-10,16,22-23,28,36H,8,11-15,17-21H2,1-3H3,(H,32,37)/t22-,23+,28+/m0/s1
InChIKey	ZUUUVKJMPUIRPC-SXDGJLEOSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:126029) has functional parent β-amino acid (CHEBI:33706)
	N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:126029) is a organonitrogen compound (CHEBI:35352)
	N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:126029) is a organooxygen compound (CHEBI:36963)

Manual Xrefs	Databases
LSM-37596	LINCS