CHEBI:95741 - (2R)-2-[(4S,5S)-8-[2-(2-methoxyphenyl)ethynyl]-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

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ChEBI Name (2R)-2-[(4S,5S)-8-[2-(2-methoxyphenyl)ethynyl]-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol ChEBI ID CHEBI:95741 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C30H35N3O5S Net Charge 0 Average Mass 549.683 Monoisotopic Mass 549.22974 InChI InChI=1S/C30H35N3O5S/c1-22-18-33(23(2)21-34)39(35,36)30-14-12-24(11-13-26-9-5-6-10-27(26)37-4)16-28(30)38-29(22)20-32(3)19-25-8-7-15-31-17-25/h5-10,12,14-17,22-23,29,34H,18-21H2,1-4H3/t22-,23+,29+/m0/s1 InChIKey AWBBMFXXCINDIY-QFWOEDSFSA-N SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC=CC=C3OC)O[C@@H]1CN(C)CC4=CN=CC=C4)[C@H](C)CO ChEBI Ontology Outgoing (2R)-2-[(4S,5S)-8-[2-(2-methoxyphenyl)ethynyl]-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:95741) is a methoxybenzenes (CHEBI:51683) Manual Xref Database LSM-7120 LINCS View more database links