N-[(2R,3S)-2-[[[anilino(oxo)methyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:128775)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:128775 - N-[(2R,3S)-2-[[[anilino(oxo)methyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:128775
ChEBI Name	N-[(2R,3S)-2-[[[anilino(oxo)methyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
Stars
Downloads	Molfile

Formula	C30H41N5O6
Net Charge	0
Average Mass	567.687
Monoisotopic Mass	567.30568
SMILES	C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCN3CCOCC3)ccc2O[C@H]1CN(C)C(=O)Nc1ccccc1
InChI	InChI=1S/C30H41N5O6/c1-21-18-35(22(2)20-36)29(38)25-17-24(31-28(37)11-12-34-13-15-40-16-14-34)9-10-26(25)41-27(21)19-33(3)30(39)32-23-7-5-4-6-8-23/h4-10,17,21-22,27,36H,11-16,18-20H2,1-3H3,(H,31,37)(H,32,39)/t21-,22-,27-/m0/s1
InChIKey	NBWGOUGTHFGVFJ-BERHBOFZSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2R,3S)-2-[[[anilino(oxo)methyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:128775) has functional parent β-amino acid (CHEBI:33706)
	N-[(2R,3S)-2-[[[anilino(oxo)methyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:128775) is a organonitrogen compound (CHEBI:35352)
	N-[(2R,3S)-2-[[[anilino(oxo)methyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:128775) is a organooxygen compound (CHEBI:36963)

Manual Xrefs	Databases
LSM-40327	LINCS