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S-tert-Butyl (2R,3S)-2-Benzyloxy-3-[[[(S)-1-phenylethyl]amino]carboxy]-6-methyl-4-heptynethioate
SpectraBase Compound ID J91libLGHRn
InChI InChI=1S/C28H35NO4S/c1-20(2)17-18-24(26(30)33-29-21(3)23-15-11-8-12-16-23)25(27(31)34-28(4,5)6)32-19-22-13-9-7-10-14-22/h7-16,20-21,24-25,29H,19H2,1-6H3/t21-,24-,25+/m0/s1
InChIKey QRRCQODFWXLMMO-GVXSCFBNSA-N
Mol Weight 481.7 g/mol
Molecular Formula C28H35NO4S
Exact Mass 481.22868 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KrbuyZIt9R7
Name S-tert-Butyl (2R,3S)-2-Benzyloxy-3-[[[(S)-1-phenylethyl]amino]carboxy]-6-methyl-4-heptynethioate
Alternate Name(s) S-(tert-butyl) (2R,3S)-2-(benzyloxy)-6-methyl-3-[({[(1S)-1-phenylethyl]amino}oxy)carbonyl]-4-heptynethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H35NO4S
InChI InChI=1S/C28H35NO4S/c1-20(2)17-18-24(26(30)33-29-21(3)23-15-11-8-12-16-23)25(27(31)34-28(4,5)6)32-19-22-13-9-7-10-14-22/h7-16,20-21,24-25,29H,19H2,1-6H3/t21-,24-,25+/m0/s1
InChIKey QRRCQODFWXLMMO-GVXSCFBNSA-N
Molecular Weight 481.651 g/mol
SMILES N(OC([C@@](C#CC(C)C)([C@](C(SC(C)(C)C)=O)(OCc1ccccc1)[H])[H])=O)[C@](c1ccccc1)(C)[H]
SPLASH splash10-06r6-7934000000-66a81ea5e2dc2e0632f1
Source of Spectrum J-60-5916-36
Wiley ID 1395422