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N,N-Bis[(S)-1-methoxycarbonylisobutylmethyl]-(2S/R,3S/R)-3-hydroxy-2-(tosylamino)succinic diamide isomer
SpectraBase Compound ID KlGn3Vohs2f
InChI InChI=1S/C25H39N3O9S/c1-14(2)18(24(32)36-6)12-28(13-19(15(3)4)25(33)37-7)23(31)20(21(29)22(26)30)27-38(34,35)17-10-8-16(5)9-11-17/h8-11,14-15,18-21,27,29H,12-13H2,1-7H3,(H2,26,30)/t18-,19-,20?,21?/m1/s1
InChIKey CVMAYMKORUFZRV-HJLBWTBNSA-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 DdQhU9M6LEs
Name N,N-Bis[(S)-1-methoxycarbonylisobutylmethyl]-(2S/R,3S/R)-3-hydroxy-2-(tosylamino)succinic diamide isomer
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Formula C25H39N3O9S
InChI InChI=1S/C25H39N3O9S/c1-14(2)18(24(32)36-6)12-28(13-19(15(3)4)25(33)37-7)23(31)20(21(29)22(26)30)27-38(34,35)17-10-8-16(5)9-11-17/h8-11,14-15,18-21,27,29H,12-13H2,1-7H3,(H2,26,30)/t18-,19-,20?,21?/m1/s1
InChIKey CVMAYMKORUFZRV-HJLBWTBNSA-N
Molecular Weight 557.659 g/mol
SMILES N(C(C(C(=O)N)O)C(N(C[C@@](C(=O)OC)(C(C)C)[H])C[C@@](C(=O)OC)(C(C)C)[H])=O)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0udi-2392010000-f98ffa2151c0b6fa36d0
Source of Spectrum QE-12-4369-5
Synonyms Methyl (2S)-2-({(4-amino-3-hydroxy-2-{[(4-methylphenyl)sulfonyl]amino}-4-oxobutanoyl)[(2S)-2-(methoxycarbonyl)-3-methylbutyl]amino}methyl)-3-methylbutanoate
Wiley ID 1586992