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CHEBI:108631 - 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-(3,5-dimethyl-4-isoxazolyl)urea

ChEBI IDCHEBI:108631
ChEBI Name1-[(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-(3,5-dimethyl-4-isoxazolyl)urea
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DownloadsMolfile
FormulaC29H43N5O5
Net Charge0
Average Mass541.693
Monoisotopic Mass541.32642
SMILESCc1noc(C)c1NC(=O)Nc1cccc2c1O[C@@H](CN(C)CC1CCCCC1)[C@@H](C)CN([C@H](C)CO)C2=O
InChIInChI=1S/C29H43N5O5/c1-18-14-34(19(2)17-35)28(36)23-12-9-13-24(30-29(37)31-26-20(3)32-39-21(26)4)27(23)38-25(18)16-33(5)15-22-10-7-6-8-11-22/h9,12-13,18-19,22,25,35H,6-8,10-11,14-17H2,1-5H3,(H2,30,31,37)/t18-,19+,25-/m0/s1
InChIKeySKOKKYKZTHPAKC-CEYNDMKZSA-N
ChEBI Ontology
Outgoing Relation(s)
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-(3,5-dimethyl-4-isoxazolyl)urea (CHEBI:108631) is a aromatic ether (CHEBI:35618)
Manual XrefsDatabases
LSM-20031LINCS