CHEBI:124416 - N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide
ChEBI ID CHEBI:124416
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H40Cl2N4O4
Net Charge 0
Average Mass 579.559
Monoisotopic Mass 578.24266
InChI InChI=1S/C29H40Cl2N4O4/c1-19-15-35(20(2)18-36)29(38)23-14-22(32-28(37)7-6-12-33(3)4)9-11-26(23)39-27(19)17-34(5)16-21-8-10-24(30)25(31)13-21/h8-11,13-14,19-20,27,36H,6-7,12,15-18H2,1-5H3,(H,32,37)/t19-,20+,27-/m0/s1
InChIKey MUXVZPGXVBCMLC-VKIDHGPPSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCCN(C)C)O[C@H]1CN(C)CC3=CC(=C(C=C3)Cl)Cl)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide (CHEBI:124416) is a dichlorobenzene (CHEBI:23697)
Manual Xref Database
LSM-35858 LINCS
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