CHEBI:108705 - N-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide

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ChEBI Name N-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
ChEBI ID CHEBI:108705
Stars This entity has been manually annotated by a third party.
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Formula C23H33N5O4
Net Charge 0
Average Mass 443.540
Monoisotopic Mass 443.25325
InChI InChI=1S/C23H33N5O4/c1-14-11-28(16(3)13-29)23(31)17-8-7-9-18(21(17)32-20(14)12-26(4)5)24-22(30)19-10-15(2)25-27(19)6/h7-10,14,16,20,29H,11-13H2,1-6H3,(H,24,30)/t14-,16-,20-/m1/s1
InChIKey ADWJBSWPWOPVMW-AKCHCHLHSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC(=NN3C)C)O[C@@H]1CN(C)C)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide (CHEBI:108705) is a aromatic amide (CHEBI:62733)
N-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide (CHEBI:108705) is a heteroarene (CHEBI:33833)
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