CHEBI:109876 - (2S)-2-[(4R,5R)-4-methyl-5-[[methyl-(phenylmethyl)amino]methyl]-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

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ChEBI Name (2S)-2-[(4R,5R)-4-methyl-5-[[methyl-(phenylmethyl)amino]methyl]-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol ChEBI ID CHEBI:109876 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H36N2O4S Net Charge 0 Average Mass 484.653 Monoisotopic Mass 484.23958 InChI InChI=1S/C27H36N2O4S/c1-5-6-8-11-23-14-15-27-25(16-23)33-26(19-28(4)18-24-12-9-7-10-13-24)21(2)17-29(22(3)20-30)34(27,31)32/h7,9-10,12-16,21-22,26,30H,5-6,17-20H2,1-4H3/t21-,22+,26+/m1/s1 InChIKey ADEWQMCOYJIEMS-UFPGJGBJSA-N SMILES CCCC#CC1=CC2=C(C=C1)S(=O)(=O)N(C[C@H]([C@@H](O2)CN(C)CC3=CC=CC=C3)C)[C@@H](C)CO Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing (2S)-2-[(4R,5R)-4-methyl-5-[[methyl-(phenylmethyl)amino]methyl]-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:109876) is a aromatic amine (CHEBI:33860) Manual Xref Database LSM-21304 LINCS View more database links