CHEBI:111765 - N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
ChEBI ID CHEBI:111765
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C34H43N5O6
Net Charge 0
Average Mass 617.736
Monoisotopic Mass 617.32133
InChI InChI=1S/C34H43N5O6/c1-23-20-39(24(2)22-40)33(42)28-19-26(35-32(41)13-14-38-15-17-44-18-16-38)11-12-30(28)45-31(23)21-37(3)34(43)36-29-10-6-8-25-7-4-5-9-27(25)29/h4-12,19,23-24,31,40H,13-18,20-22H2,1-3H3,(H,35,41)(H,36,43)/t23-,24-,31+/m1/s1
InChIKey NJKSMJYTSLFNSQ-GQIGMWPISA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@H]1CN(C)C(=O)NC4=CC=CC5=CC=CC=C54)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:111765) has functional parent β-amino acid (CHEBI:33706)
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:111765) is a organonitrogen compound (CHEBI:35352)
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:111765) is a organooxygen compound (CHEBI:36963)
Manual Xref Database
LSM-23178 LINCS
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