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#B1;2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-[5-(2-CHLOROBENZYL)-1-OXO-1,2,4,5,6,7-HEXAHYDRO-1-LAMBDA*4*-THIENO-[3,2-C]-PYRIDIN-7A-YL-SULFANYL]-ETHYLCARBAMOYL-

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#B1;2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-[5-(2-CHLOROBENZYL)-1-OXO-1,2,4,5,6,7-HEXAHYDRO-1-LAMBDA*4*-THIENO-[3,2-C]-PYRIDIN-7A-YL-SULFANYL]-ETHYLCARBAMOYL-
SpectraBase Compound ID 1iCNVEInuQQ
InChI InChI=1S/C24H31ClN4O7S2/c25-17-4-2-1-3-15(17)12-29-9-8-24(16(13-29)7-10-38(24)36)37-14-19(22(33)27-11-21(31)32)28-20(30)6-5-18(26)23(34)35/h1-4,7,18-19H,5-6,8-14,26H2,(H,27,33)(H,28,30)(H,31,32)(H,34,35)/t18-,19-,24?,38?/m0/s1
InChIKey FHFPPBFFNMCOPR-IGLWLYGPSA-N
Mol Weight 587.11 g/mol
Molecular Formula C24H31ClN4O7S2
Exact Mass 586.132269 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AMitlALzm6u
Name #B1;2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-[5-(2-CHLOROBENZYL)-1-OXO-1,2,4,5,6,7-HEXAHYDRO-1-LAMBDA*4*-THIENO-[3,2-C]-PYRIDIN-7A-YL-SULFANYL]-ETHYLCARBAMOYL-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H31ClN4O7S2
InChI InChI=1S/C24H31ClN4O7S2/c25-17-4-2-1-3-15(17)12-29-9-8-24(16(13-29)7-10-38(24)36)37-14-19(22(33)27-11-21(31)32)28-20(30)6-5-18(26)23(34)35/h1-4,7,18-19H,5-6,8-14,26H2,(H,27,33)(H,28,30)(H,31,32)(H,34,35)/t18-,19-,24?,38?/m0/s1
InChIKey FHFPPBFFNMCOPR-IGLWLYGPSA-N
Literature Reference Author S.SHIMIZU,R.ATSUMI,T.NAKAZAWA,Y.FUJIMAKI,K.SUDO,O.OKAZAKI
Literature Reference Citation DRUG.MET.DISP.,37,1904(2009)
Literature Reference DOI 10.1124/dmd.109.027524
Molecular Weight 587.106 g/mol
Source File Reference UWLU74074