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 |