CHEBI:123630 - N-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-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)-2-[[cyclohexylmethyl(methyl)amino]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 ID CHEBI:123630
Stars This entity has been manually annotated by a third party.
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C30H48N4O5
Net Charge 0
Average Mass 544.727
Monoisotopic Mass 544.36247
InChI InChI=1S/C30H48N4O5/c1-22-18-34(23(2)21-35)30(37)26-17-25(31-29(36)11-12-33-13-15-38-16-14-33)9-10-27(26)39-28(22)20-32(3)19-24-7-5-4-6-8-24/h9-10,17,22-24,28,35H,4-8,11-16,18-21H2,1-3H3,(H,31,36)/t22-,23+,28+/m1/s1
InChIKey ICTRKSOOJQUIHO-IWHLBADBSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@H]1CN(C)CC4CCCCC4)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]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:123630) has functional parent β-amino acid (CHEBI:33706)
N-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]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:123630) is a organonitrogen compound (CHEBI:35352)
N-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]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:123630) is a organooxygen compound (CHEBI:36963)
Manual Xref Database
LSM-35072 LINCS
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