CHEBI:126015 - (2S)-2-[(4S,5S)-8-(1-cyclohexenyl)-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 (2S)-2-[(4S,5S)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
ChEBI ID CHEBI:126015
Stars This entity has been manually annotated by a third party.
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Formula C27H37N3O4S
Net Charge 0
Average Mass 499.667
Monoisotopic Mass 499.25048
InChI InChI=1S/C27H37N3O4S/c1-20-16-30(21(2)19-31)35(32,33)27-12-11-24(23-9-5-4-6-10-23)14-25(27)34-26(20)18-29(3)17-22-8-7-13-28-15-22/h7-9,11-15,20-21,26,31H,4-6,10,16-19H2,1-3H3/t20-,21-,26+/m0/s1
InChIKey IERISQUFPFVSDP-ISJBWFOZSA-N
SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCCC3)O[C@@H]1CN(C)CC4=CN=CC=C4)[C@@H](C)CO
ChEBI Ontology
Outgoing (2S)-2-[(4S,5S)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:126015) is a aromatic ether (CHEBI:35618)
Manual Xref Database
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