CHEBI:113756 - 1-[(2S,3S)-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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ChEBI Name 1-[(2S,3S)-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 ID CHEBI:113756 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C29H43N5O5 Net Charge 0 Average Mass 541.683 Monoisotopic Mass 541.32642 InChI InChI=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+/m0/s1 InChIKey GCOOUUHDYUHFBZ-LZJCXSABSA-N SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)O[C@@H]1CN(C)CC4CCCCC4)[C@@H](C)CO ChEBI Ontology Outgoing 1-[(2S,3S)-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:113756) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-25188 LINCS View more database links