CHEBI:108623 - 1-cyclohexyl-3-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-cyclohexyl-3-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
ChEBI ID CHEBI:108623
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H38N4O4
Net Charge 0
Average Mass 446.584
Monoisotopic Mass 446.28931
InChI InChI=1S/C24H38N4O4/c1-16-14-28(17(2)15-29)23(30)12-18-11-20(9-10-21(18)32-22(16)13-25-3)27-24(31)26-19-7-5-4-6-8-19/h9-11,16-17,19,22,25,29H,4-8,12-15H2,1-3H3,(H2,26,27,31)/t16-,17-,22+/m1/s1
InChIKey UULCDSMPFJBLQO-YVHKJVDXSA-N
SMILES C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3CCCCC3)O[C@H]1CNC)[C@H](C)CO
ChEBI Ontology
Outgoing 1-cyclohexyl-3-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea (CHEBI:108623) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-20023 LINCS
View more database links