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N,N-Bis[(S)-1-methoxycarbonyl-2,2-dimethylpropyl]-(2S/R,3S/R)-3-hydroxy-2-(tosylamino)succinic diamide isomer
SpectraBase Compound ID 6OhsYamY2jm
InChI InChI=1S/C25H39N3O9S/c1-14-10-12-15(13-11-14)38(34,35)27-16(17(29)20(26)30)21(31)28(18(22(32)36-8)24(2,3)4)19(23(33)37-9)25(5,6)7/h10-13,16-19,27,29H,1-9H3,(H2,26,30)/t16?,17?,18-,19-/m1/s1
InChIKey DQWSWUMCIPQVBE-CSODTCANSA-N
Mol Weight 557.7 g/mol
Molecular Formula C25H39N3O9S
Exact Mass 557.240701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GWgV9TfO1aK
Name N,N-Bis[(S)-1-methoxycarbonyl-2,2-dimethylpropyl]-(2S/R,3S/R)-3-hydroxy-2-(tosylamino)succinic diamide isomer
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Formula C25H39N3O9S
InChI InChI=1S/C25H39N3O9S/c1-14-10-12-15(13-11-14)38(34,35)27-16(17(29)20(26)30)21(31)28(18(22(32)36-8)24(2,3)4)19(23(33)37-9)25(5,6)7/h10-13,16-19,27,29H,1-9H3,(H2,26,30)/t16?,17?,18-,19-/m1/s1
InChIKey DQWSWUMCIPQVBE-CSODTCANSA-N
Molecular Weight 557.659 g/mol
SMILES N(C(C(C(=O)N)O)C(N([C@](C(=O)OC)(C(C)(C)C)[H])[C@](C(=O)OC)(C(C)(C)C)[H])=O)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0udi-2292030000-b95b51ad2d9b13508bf2
Source of Spectrum QE-12-4370-4
Synonyms Methyl (2S)-2-{(4-amino-3-hydroxy-2-{[(4-methylphenyl)sulfonyl]amino}-4-oxobutanoyl)[(1S)-1-(methoxycarbonyl)-2,2-dimethylpropyl]amino}-3,3-dimethylbutanoate
Wiley ID 1586988