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CHEBI:113575 - 1-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea

ChEBI IDCHEBI:113575
ChEBI Name1-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-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)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)CC1CCCCC1)O2
InChIInChI=1S/C29H43N5O5/c1-18-14-34(19(2)17-35)28(36)24-13-23(30-29(37)31-27-20(3)32-39-21(27)4)11-12-25(24)38-26(18)16-33(5)15-22-9-7-6-8-10-22/h11-13,18-19,22,26,35H,6-10,14-17H2,1-5H3,(H2,30,31,37)/t18-,19+,26+/m1/s1
InChIKeyGCOOUUHDYUHFBZ-MVYHEMRASA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea (CHEBI:113575) is a aromatic ether (CHEBI:35618)
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