CHEBI:108676 - 1-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-fluorophenyl)urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-fluorophenyl)urea
ChEBI ID CHEBI:108676
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H41FN4O4
Net Charge 0
Average Mass 540.670
Monoisotopic Mass 540.31118
InChI InChI=1S/C30H41FN4O4/c1-20-16-35(21(2)19-36)29(37)25-10-7-11-26(33-30(38)32-24-14-12-23(31)13-15-24)28(25)39-27(20)18-34(3)17-22-8-5-4-6-9-22/h7,10-15,20-22,27,36H,4-6,8-9,16-19H2,1-3H3,(H2,32,33,38)/t20-,21+,27-/m0/s1
InChIKey COSGGAMFLVSIQD-ISCCLHIJSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=C(C=C3)F)O[C@H]1CN(C)CC4CCCCC4)[C@H](C)CO
ChEBI Ontology
Outgoing 1-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-fluorophenyl)urea (CHEBI:108676) is a ureas (CHEBI:47857)
Manual Xref Database
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