CHEBI:119625 - 3-cyclopentyl-1-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(3-pyridinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea

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ChEBI Name 3-cyclopentyl-1-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(3-pyridinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea ChEBI ID CHEBI:119625 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C26H36N4O5S Net Charge 0 Average Mass 516.655 Monoisotopic Mass 516.24064 InChI InChI=1S/C26H36N4O5S/c1-18-15-30(19(2)17-31)36(33,34)25-11-10-20(21-7-6-12-27-14-21)13-23(25)35-24(18)16-29(3)26(32)28-22-8-4-5-9-22/h6-7,10-14,18-19,22,24,31H,4-5,8-9,15-17H2,1-3H3,(H,28,32)/t18-,19-,24-/m1/s1 InChIKey AOAVRGNJVMAOBU-KHCICDEESA-N SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CN=CC=C3)O[C@@H]1CN(C)C(=O)NC4CCCC4)[C@H](C)CO ChEBI Ontology Outgoing 3-cyclopentyl-1-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(3-pyridinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea (CHEBI:119625) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-31071 LINCS View more database links