CHEBI:124663 - 1-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
ChEBI ID CHEBI:124663
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H38N4O4
Net Charge 0
Average Mass 446.584
Monoisotopic Mass 446.28931
InChI InChI=1S/C24H38N4O4/c1-15(2)25-24(31)26-19-8-9-21-20(10-19)23(30)28(17(4)14-29)11-16(3)22(32-21)13-27(5)12-18-6-7-18/h8-10,15-18,22,29H,6-7,11-14H2,1-5H3,(H2,25,26,31)/t16-,17+,22-/m0/s1
InChIKey ROCKANQGRCOFFC-JKSBSHDWSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@H]1CN(C)CC3CC3)[C@H](C)CO
ChEBI Ontology
Outgoing 1-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea (CHEBI:124663) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-36105 LINCS
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