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CHEBI:108898 - N-[(2R,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]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
ChEBI IDCHEBI:108898
ChEBI NameN-[(2R,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]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
DownloadsMolfile
FormulaC31H49N5O6
Net Charge0
Average Mass587.762
Monoisotopic Mass587.36828
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)CCN3CCOCC3)ccc2O[C@H]1CN(C)C(=O)NC1CCCCC1
InChIInChI=1S/C31H49N5O6/c1-22-19-36(23(2)21-37)30(39)18-24-17-26(32-29(38)11-12-35-13-15-41-16-14-35)9-10-27(24)42-28(22)20-34(3)31(40)33-25-7-5-4-6-8-25/h9-10,17,22-23,25,28,37H,4-8,11-16,18-21H2,1-3H3,(H,32,38)(H,33,40)/t22-,23-,28-/m0/s1
InChIKeyVGGDTLLTAGJVNH-LXWOLXCRSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]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:108898) has functional parent β-amino acid (CHEBI:33706)
N-[(2R,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]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:108898) is a organonitrogen compound (CHEBI:35352)
N-[(2R,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]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:108898) is a organooxygen compound (CHEBI:36963)
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