CHEBI:108693 - 1-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-phenylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-phenylurea
ChEBI ID CHEBI:108693
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H32N4O4
Net Charge 0
Average Mass 440.536
Monoisotopic Mass 440.24236
InChI InChI=1S/C24H32N4O4/c1-16-13-28(17(2)15-29)23(30)19-11-8-12-20(22(19)32-21(16)14-27(3)4)26-24(31)25-18-9-6-5-7-10-18/h5-12,16-17,21,29H,13-15H2,1-4H3,(H2,25,26,31)/t16-,17-,21-/m1/s1
InChIKey SSJJWSMGDNAKCS-CBGDNZLLSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=CC=C3)O[C@@H]1CN(C)C)[C@H](C)CO
ChEBI Ontology
Outgoing 1-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-phenylurea (CHEBI:108693) is a ureas (CHEBI:47857)
Manual Xref Database
LSM-20092 LINCS
View more database links