CHEBI:106242 - 1-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-phenylurea

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ChEBI Name 1-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-phenylurea ChEBI ID CHEBI:106242 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H35N3O5S Net Charge 0 Average Mass 513.651 Monoisotopic Mass 513.22974 InChI InChI=1S/C27H35N3O5S/c1-19(2)11-12-22-13-14-26-24(15-22)35-25(20(3)16-30(21(4)18-31)36(26,33)34)17-29(5)27(32)28-23-9-7-6-8-10-23/h6-10,13-15,19-21,25,31H,16-18H2,1-5H3,(H,28,32)/t20-,21-,25+/m0/s1 InChIKey GKCJFKOMNRYVJH-STWLZBDKSA-N SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC(C)C)O[C@@H]1CN(C)C(=O)NC3=CC=CC=C3)[C@@H](C)CO ChEBI Ontology Outgoing 1-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-phenylurea (CHEBI:106242) is a ureas (CHEBI:47857) Manual Xref Database LSM-17603 LINCS View more database links