CHEBI:124007 - N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]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-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]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:124007
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H35Cl2N5O4
Net Charge 0
Average Mass 588.526
Monoisotopic Mass 587.20661
InChI InChI=1S/C29H35Cl2N5O4/c1-17-13-36(19(3)16-37)29(39)21-7-6-8-24(32-28(38)25-11-18(2)33-35(25)5)27(21)40-26(17)15-34(4)14-20-9-10-22(30)23(31)12-20/h6-12,17,19,26,37H,13-16H2,1-5H3,(H,32,38)/t17-,19-,26+/m1/s1
InChIKey UUINWFIMSXKYJK-AZZGJVAJSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC(=NN3C)C)O[C@H]1CN(C)CC4=CC(=C(C=C4)Cl)Cl)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]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:124007) is a dichlorobenzene (CHEBI:23697)
Manual Xref Database
LSM-35449 LINCS
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