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1H-Indole-3-propanoic acid, 2-[[2-(acetylamino)-3-methoxy-3-oxopropyl]thio]-.alpha.-(hydroxyimino)-, ethyl ester, (R)-
SpectraBase Compound ID 35BmKtcMuKH
InChI InChI=1S/C19H23N3O6S/c1-4-28-19(25)15(22-26)9-13-12-7-5-6-8-14(12)21-17(13)29-10-16(18(24)27-3)20-11(2)23/h5-8,16,21,26H,4,9-10H2,1-3H3,(H,20,23)/b22-15-/t16-/m0/s1
InChIKey UCVIIUKTMLUTLC-AABCQZNVSA-N
Mol Weight 421.47 g/mol
Molecular Formula C19H23N3O6S
Exact Mass 421.130757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2IcTLPAcfKW
Name 1H-Indole-3-propanoic acid, 2-[[2-(acetylamino)-3-methoxy-3-oxopropyl]thio]-.alpha.-(hydroxyimino)-, ethyl ester, (R)-
CAS Registry Number 106040-10-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23N3O6S
InChI InChI=1S/C19H23N3O6S/c1-4-28-19(25)15(22-26)9-13-12-7-5-6-8-14(12)21-17(13)29-10-16(18(24)27-3)20-11(2)23/h5-8,16,21,26H,4,9-10H2,1-3H3,(H,20,23)/b22-15-/t16-/m0/s1
InChIKey UCVIIUKTMLUTLC-AABCQZNVSA-N
Molecular Weight 421.468 g/mol
SMILES O\N=C\(Cc1c(SC[C@@](C(=O)OC)(NC(=O)C)[H])[nH]c2ccccc12)C(=O)OCC
SPLASH splash10-0006-0900200000-0de67c489051cc205216
Source of Spectrum F-42-4507-9
Synonyms Ethyl .alpha.(hydroxyimino)-.beta.-[2-S-(N-acetyl-(l)-cysteinyl methyl ester)indol-3-yl-propanoate methyl (2R)-2-(acetylamino)-3-({3-[(2Z)-3-ethoxy-2-(hydroxyimino)-3-oxopropyl]-1H-indol-2-yl}sulfanyl)propanoate
Wiley ID 1378263