CHEBI:128848 - 4-(dimethylamino)-N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-(dimethylamino)-N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
ChEBI ID CHEBI:128848
Stars This entity has been manually annotated by a third party.
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Formula C35H46N4O5
Net Charge 0
Average Mass 602.765
Monoisotopic Mass 602.34682
InChI InChI=1S/C35H46N4O5/c1-25-21-39(26(2)24-40)35(42)31-20-28(36-34(41)12-9-19-37(3)4)15-18-32(31)44-33(25)23-38(5)22-27-13-16-30(17-14-27)43-29-10-7-6-8-11-29/h6-8,10-11,13-18,20,25-26,33,40H,9,12,19,21-24H2,1-5H3,(H,36,41)/t25-,26-,33+/m1/s1
InChIKey JBTWBXKZNZMQHX-ZJDJHBDQSA-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)OC4=CC=CC=C4)[C@H](C)CO
ChEBI Ontology
Outgoing 4-(dimethylamino)-N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide (CHEBI:128848) is a aromatic ether (CHEBI:35618)
Manual Xref Database
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