CHEBI:113848 - N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide

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ChEBI Name N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide
ChEBI ID CHEBI:113848
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C32H44N4O7
Net Charge 0
Average Mass 596.716
Monoisotopic Mass 596.32100
InChI InChI=1S/C32H44N4O7/c1-22-17-36(23(2)20-37)32(39)16-25-15-26(33-31(38)8-9-35-10-12-40-13-11-35)5-7-27(25)43-30(22)19-34(3)18-24-4-6-28-29(14-24)42-21-41-28/h4-7,14-15,22-23,30,37H,8-13,16-21H2,1-3H3,(H,33,38)/t22-,23+,30+/m0/s1
InChIKey NYPOLWMMHTZHKU-DDFCPOBKSA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:113848) has functional parent β-amino acid (CHEBI:33706)
N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:113848) is a organonitrogen compound (CHEBI:35352)
N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:113848) is a organooxygen compound (CHEBI:36963)
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