CHEBI:111673 - 1-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(1-naphthalenyl)urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(1-naphthalenyl)urea
ChEBI ID CHEBI:111673
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C35H38N4O6
Net Charge 0
Average Mass 610.701
Monoisotopic Mass 610.27913
InChI InChI=1S/C35H38N4O6/c1-22-17-39(23(2)20-40)34(41)28-16-26(36-35(42)37-29-10-6-8-25-7-4-5-9-27(25)29)12-14-30(28)45-33(22)19-38(3)18-24-11-13-31-32(15-24)44-21-43-31/h4-16,22-23,33,40H,17-21H2,1-3H3,(H2,36,37,42)/t22-,23+,33+/m0/s1
InChIKey MDVGURPVGABTFV-VCEFOFBQSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)O[C@@H]1CN(C)CC5=CC6=C(C=C5)OCO6)[C@H](C)CO
ChEBI Ontology
Outgoing 1-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(1-naphthalenyl)urea (CHEBI:111673) is a naphthalenes (CHEBI:25477)
Manual Xref Database
LSM-23087 LINCS
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