CHEBI:96371 - 1-[[(4R,5S)-8-(3-cyclopentylprop-1-ynyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea

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ChEBI Name 1-[[(4R,5S)-8-(3-cyclopentylprop-1-ynyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea ChEBI ID CHEBI:96371 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C29H40N4O6S Net Charge 0 Average Mass 572.718 Monoisotopic Mass 572.26686 InChI InChI=1S/C29H40N4O6S/c1-19-16-33(20(2)18-34)40(36,37)27-14-13-24(12-8-11-23-9-6-7-10-23)15-25(27)38-26(19)17-32(5)29(35)30-28-21(3)31-39-22(28)4/h13-15,19-20,23,26,34H,6-7,9-11,16-18H2,1-5H3,(H,30,35)/t19-,20+,26-/m1/s1 InChIKey DYHTZISNAWRTSH-BVFVYWQFSA-N SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CCC3CCCC3)O[C@@H]1CN(C)C(=O)NC4=C(ON=C4C)C)[C@@H](C)CO ChEBI Ontology Outgoing 1-[[(4R,5S)-8-(3-cyclopentylprop-1-ynyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea (CHEBI:96371) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-7750 LINCS View more database links