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(2S,3R,2'R,1"R,2"R)-2'-[3-(2"-Acetoxycyclopropyl)-2-acetylamino-4-benzenesulfonylbutyrylamino]-3'-methylbutyric acid methyl ester

View entire compound with spectra: 1 MS (GC)

(2S,3R,2'R,1"R,2"R)-2'-[3-(2"-Acetoxycyclopropyl)-2-acetylamino-4-benzenesulfonylbutyrylamino]-3'-methylbutyric acid methyl ester
SpectraBase Compound ID EKFSDU5dfew
InChI InChI=1S/C23H32N2O8S/c1-13(2)20(23(29)32-5)25-22(28)21(24-14(3)26)18(17-11-19(17)33-15(4)27)12-34(30,31)16-9-7-6-8-10-16/h6-10,13,17-21H,11-12H2,1-5H3,(H,24,26)(H,25,28)/t17-,18+,19?,20+,21-/m0/s1
InChIKey QAKWRLPBQISTSI-AXXYCGJSSA-N
Mol Weight 496.6 g/mol
Molecular Formula C23H32N2O8S
Exact Mass 496.187937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Odr9oggmNZ
Name (2S,3R,2'R,1"R,2"R)-2'-[3-(2"-Acetoxycyclopropyl)-2-acetylamino-4-benzenesulfonylbutyrylamino]-3'-methylbutyric acid methyl ester
Alternate Name(s) Methyl (2R)-2-{[(2S,3R)-2-(acetylamino)-3-[(1S)-2-(acetyloxy)cyclopropyl]-4-(phenylsulfonyl)butanoyl]amino}-3-methylbutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32N2O8S
InChI InChI=1S/C23H32N2O8S/c1-13(2)20(23(29)32-5)25-22(28)21(24-14(3)26)18(17-11-19(17)33-15(4)27)12-34(30,31)16-9-7-6-8-10-16/h6-10,13,17-21H,11-12H2,1-5H3,(H,24,26)(H,25,28)/t17-,18+,19?,20+,21-/m0/s1
InChIKey QAKWRLPBQISTSI-AXXYCGJSSA-N
Molecular Weight 496.575 g/mol
SMILES N(C([C@]([C@@]([C@]1(C(OC(=O)C)C1)[H])(CS(=O)(=O)c1ccccc1)[H])(NC(=O)C)[H])=O)[C@@](C(=O)OC)(C(C)C)[H]
SPLASH splash10-00kb-0909900000-aeee5fe3b2238f5f2050
Source of Spectrum KC-61-704-13
Wiley ID 1627228