CHEBI:108797 - 4-(dimethylamino)-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide

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ChEBI Name 4-(dimethylamino)-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
ChEBI ID CHEBI:108797
Stars This entity has been manually annotated by a third party.
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Formula C22H36N4O4
Net Charge 0
Average Mass 420.546
Monoisotopic Mass 420.27366
InChI InChI=1S/C22H36N4O4/c1-15-13-26(16(2)14-27)22(29)18-11-17(24-21(28)7-6-10-25(4)5)8-9-19(18)30-20(15)12-23-3/h8-9,11,15-16,20,23,27H,6-7,10,12-14H2,1-5H3,(H,24,28)/t15-,16-,20-/m0/s1
InChIKey YREQKLPEMWXCQY-FTRWYGJKSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCCN(C)C)O[C@H]1CNC)[C@@H](C)CO
ChEBI Ontology
Outgoing 4-(dimethylamino)-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide (CHEBI:108797) is a aromatic amide (CHEBI:62733)
Manual Xref Database
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