CHEBI:129697 - (2S)-2-[(4R,5S)-8-(1-cyclopentenyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)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-[(4R,5S)-8-(1-cyclopentenyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
ChEBI ID CHEBI:129697
Stars This entity has been manually annotated by a third party.
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Formula C25H34N4O4S
Net Charge 0
Average Mass 486.629
Monoisotopic Mass 486.23008
InChI InChI=1S/C25H34N4O4S/c1-18-13-29(19(2)16-30)34(31,32)25-9-8-22(21-6-4-5-7-21)10-23(25)33-24(18)15-28(3)14-20-11-26-17-27-12-20/h6,8-12,17-19,24,30H,4-5,7,13-16H2,1-3H3/t18-,19+,24-/m1/s1
InChIKey FNMUPMBHEXPXEL-YDIMBITNSA-N
SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@@H]1CN(C)CC4=CN=CN=C4)[C@@H](C)CO
ChEBI Ontology
Outgoing (2S)-2-[(4R,5S)-8-(1-cyclopentenyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:129697) is a aromatic ether (CHEBI:35618)
Manual Xref Database
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