CHEBI:108737 - 1-cyclohexyl-3-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-cyclohexyl-3-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
ChEBI ID CHEBI:108737
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H36N4O4
Net Charge 0
Average Mass 432.557
Monoisotopic Mass 432.27366
InChI InChI=1S/C23H36N4O4/c1-15-13-27(16(2)14-28)22(29)18-10-7-11-19(21(18)31-20(15)12-24-3)26-23(30)25-17-8-5-4-6-9-17/h7,10-11,15-17,20,24,28H,4-6,8-9,12-14H2,1-3H3,(H2,25,26,30)/t15-,16-,20-/m1/s1
InChIKey HFFGMDRCIAVIES-JXXFODFXSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3CCCCC3)O[C@@H]1CNC)[C@H](C)CO
ChEBI Ontology
Outgoing 1-cyclohexyl-3-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea (CHEBI:108737) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-20136 LINCS
View more database links