CHEBI:126453 - 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea

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ChEBI Name 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea ChEBI ID CHEBI:126453 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 C28H36N6O5 Net Charge 0 Average Mass 536.624 Monoisotopic Mass 536.27472 InChI InChI=1S/C28H36N6O5/c1-17-13-34(18(2)16-35)27(36)22-7-6-8-23(30-28(37)31-25-19(3)32-39-20(25)4)26(22)38-24(17)15-33(5)14-21-9-11-29-12-10-21/h6-12,17-18,24,35H,13-16H2,1-5H3,(H2,30,31,37)/t17-,18+,24+/m0/s1 InChIKey YNYUVEOCZHZCOQ-HOOSLVGPSA-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)CC4=CC=NC=C4)[C@H](C)CO ChEBI Ontology Outgoing 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea (CHEBI:126453) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-38017 LINCS View more database links