CHEBI:131082 - 1-(1,3-benzodioxol-5-yl)-3-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea

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ChEBI Name 1-(1,3-benzodioxol-5-yl)-3-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea ChEBI ID CHEBI:131082 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C37H40N4O7 Net Charge 0 Average Mass 652.738 Monoisotopic Mass 652.28970 InChI InChI=1S/C37H40N4O7/c1-24-19-41(25(2)22-42)36(43)31-17-27(38-37(44)39-28-12-16-33-34(18-28)46-23-45-33)11-15-32(31)48-35(24)21-40(3)20-26-9-13-30(14-10-26)47-29-7-5-4-6-8-29/h4-18,24-25,35,42H,19-23H2,1-3H3,(H2,38,39,44)/t24-,25+,35-/m1/s1 InChIKey SIHGKWCNYKQFFR-ZENPUIFLSA-N SMILES C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)O[C@@H]1CN(C)CC5=CC=C(C=C5)OC6=CC=CC=C6)[C@@H](C)CO ChEBI Ontology Outgoing 1-(1,3-benzodioxol-5-yl)-3-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea (CHEBI:131082) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-42630 LINCS View more database links