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(S)-2-Benzyloxycarbonylamino-3-((S)-2-benzyloxycarbonylamino-2-methoxycarbonyl-ethylsulfanylmethylsulfanyl)-propionic acid methyl ester

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(S)-2-Benzyloxycarbonylamino-3-((S)-2-benzyloxycarbonylamino-2-methoxycarbonyl-ethylsulfanylmethylsulfanyl)-propionic acid methyl ester
SpectraBase Compound ID I3xjCGmFgPb
InChI InChI=1S/C25H30N2O8S2/c1-32-22(28)20(26-24(30)34-13-18-9-5-3-6-10-18)15-36-17-37-16-21(23(29)33-2)27-25(31)35-14-19-11-7-4-8-12-19/h3-12,20-21H,13-17H2,1-2H3,(H,26,30)(H,27,31)/t20-,21-/m1/s1
InChIKey HOUGWRAWLJCMHN-NHCUHLMSSA-N
Mol Weight 550.64 g/mol
Molecular Formula C25H30N2O8S2
Exact Mass 550.144358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FBZkljJQXT1
Name (S)-2-Benzyloxycarbonylamino-3-((S)-2-benzyloxycarbonylamino-2-methoxycarbonyl-ethylsulfanylmethylsulfanyl)-propionic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 550.144358274 u
Formula C25H30N2O8S2
InChI InChI=1S/C25H30N2O8S2/c1-32-22(28)20(26-24(30)34-13-18-9-5-3-6-10-18)15-36-17-37-16-21(23(29)33-2)27-25(31)35-14-19-11-7-4-8-12-19/h3-12,20-21H,13-17H2,1-2H3,(H,26,30)(H,27,31)/t20-,21-/m1/s1
InChIKey HOUGWRAWLJCMHN-NHCUHLMSSA-N
Molecular Weight 550.641 g/mol
SMILES [C@@](NC(=O)OCC=1C=CC=CC1)(C(=O)OC)(CSCSC[C@@](NC(=O)OCC1=CC=CC=C1)(C(=O)OC)[H])[H]