DBO

N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE-10-CARBOXAMIDE


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Chemical Component Summary

NameN-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE-10-CARBOXAMIDE
IdentifiersN-[(2S,3R)-3-hydroxy-4-[(3-methylphenyl)methylamino]-1-phenyl-butan-2-yl]benzo[b][1]benzoxepine-5-carboxamide
FormulaC33 H32 N2 O3
Molecular Weight504.619
TypeNON-POLYMER
Isomeric SMILESCc1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)C3=Cc4ccccc4Oc5c3cccc5)O
InChIInChI=1S/C33H32N2O3/c1-23-10-9-13-25(18-23)21-34-22-30(36)29(19-24-11-3-2-4-12-24)35-33(37)28-20-26-14-5-7-16-31(26)38-32-17-8-6-15-27(28)32/h2-18,20,29-30,34,36H,19,21-22H2,1H3,(H,35,37)/t29-,30+/m0/s1
InChIKeyBNWZCXDHHPBQOX-XZWHSSHBSA-N

Chemical Details

Formal Charge0
Atom Count70
Chiral Atom Count2
Bond Count74
Aromatic Bond Count24

Related Resource References

Resource NameReference
PubChem 11963503