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Argatroban-M (HO-) isomer 1 MS2
SpectraBase Compound ID Et5V1RZ9vce
InChI InChI=1S/3C23H36N6O6S/c1-13-11-15-5-3-7-17(18(15)27-12-13)36(34,35)28-16(6-4-9-26-23(24)25)21(31)29-10-8-14(2)20(30)19(29)22(32)33;1-13-10-17(22(32)33)29(19(30)11-13)21(31)16(6-4-8-26-23(24)25)28-36(34,35)18-7-3-5-15-9-14(2)12-27-20(15)18;1-13-9-15-5-3-7-19(20(15)27-11-13)36(34,35)28-16(6-4-8-26-23(24)25)21(31)29-12-18(30)14(2)10-17(29)22(32)33/h3,5,7,13-14,16,19-20,27-28,30H,4,6,8-12H2,1-2H3,(H,32,33)(H4,24,25,26);3,5,7,13-14,16-17,19,27-28,30H,4,6,8-12H2,1-2H3,(H,32,33)(H4,24,25,26);3,5,7,13-14,16-18,27-28,30H,4,6,8-12H2,1-2H3,(H,32,33)(H4,24,25,26)
InChIKey ABCXKDFMVDFAKX-UHFFFAOYSA-N
Mol Weight 524.6 g/mol
Molecular Formula C23H36N6O6S
Exact Mass 524.241704 g/mol
Unknown Identification

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