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N,N-Bis[(S)-1-methoxycarbonylisopropylmethyl]-(2S/R,3S/R)-3-hydroxy-2-(tosylamino)succinic diamide isomer
SpectraBase Compound ID HCnpPChT7Ys
InChI InChI=1S/C23H35N3O9S/c1-12(2)17(22(30)34-6)26(18(13(3)4)23(31)35-7)21(29)16(19(27)20(24)28)25-36(32,33)15-10-8-14(5)9-11-15/h8-13,16-19,25,27H,1-7H3,(H2,24,28)/t16?,17-,18-,19?/m0/s1
InChIKey KCMOEDISFWCSEM-YBXZHIRMSA-N
Mol Weight 529.6 g/mol
Molecular Formula C23H35N3O9S
Exact Mass 529.209401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47I5M1N8gf2
Name N,N-Bis[(S)-1-methoxycarbonylisopropylmethyl]-(2S/R,3S/R)-3-hydroxy-2-(tosylamino)succinic diamide isomer
Alternate Name(s) Methyl (2S)-2-{(4-amino-3-hydroxy-2-{[(4-methylphenyl)sulfonyl]amino}-4-oxobutanoyl)[(1S)-1-(methoxycarbonyl)-2-methylpropyl]amino}-3-methylbutanoate
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Formula C23H35N3O9S
InChI InChI=1S/C23H35N3O9S/c1-12(2)17(22(30)34-6)26(18(13(3)4)23(31)35-7)21(29)16(19(27)20(24)28)25-36(32,33)15-10-8-14(5)9-11-15/h8-13,16-19,25,27H,1-7H3,(H2,24,28)/t16?,17-,18-,19?/m0/s1
InChIKey KCMOEDISFWCSEM-YBXZHIRMSA-N
Molecular Weight 529.605 g/mol
SMILES N(C(C(C(=O)N)O)C(N([C@](C(=O)OC)(C(C)C)[H])[C@](C(=O)OC)(C(C)C)[H])=O)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-000i-2922100000-7d44993a1bc9a93af59b
Source of Spectrum QE-12-4369-4
Wiley ID 1586990