(2S,3R,2'R,1"R,2"R)-2'-[3-(2"-Acetoxycyclopropyl)-2-acetylamino-4-benzenesulfonylbutyrylamino]-3'-methylbutyric acid methyl ester
Compound with spectra: 1 NMR, and 1 MS (GC)
![(2S,3R,2'R,1"R,2"R)-2'-[3-(2"-Acetoxycyclopropyl)-2-acetylamino-4-benzenesulfonylbutyrylamino]-3'-methylbutyric acid methyl ester](/api/compound/EKFSDU5dfew.png?ph=true&h=300&w=458 "(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 |
| Enantiomer InChIKey | QAKWRLPBQISTSI-GFGNYJATSA-N |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | KC-61-704-13 |
- (2S,3R,2'R,1''R,2''R)-2'-[3-(2''-Acetoxycyclopropyl)-2-acetylamino-4-benzenesulfonylbutyrylamino]-3'-methylbutyric acid methyl ester
- Methyl (2R)-2-{[(2S,3R)-2-(acetylamino)-3-[(1S)-2-(acetyloxy)cyclopropyl]-4-(phenylsulfonyl)butanoyl]amino}-3-methylbutanoate
CYCLOLINOPEPTIDE-G'
N-[(3S,6S,9S,12S,15S,16R)-6,9-bis(2-amino-2-keto-ethyl)-12-isopropyl-2,5,8,11,14-pentaketo-16-methyl-3-sec-butyl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-9-(3-bromo-4-hydroxy-phenyl)pelargonamide
WLIP
BROMOALTEROCHROMIDE-A
PPCRWRPKVFEANF-UHFFFAOYSA-N
BOC-GLU-(O-TERT.-BUTYL)-TYR-[SO2C6H3(3-OH)(4-COOH)]-LEU-OBZL
(E)-N-[(3S,6S,9S,12S,15S,16R)-6,9-bis(2-amino-2-keto-ethyl)-12-isopropyl-2,5,8,11,14-pentaketo-16-methyl-3-sec-butyl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-9-(3-bromo-4-hydroxy-phenyl)non-2-enamide
mmb-mb-Chmica
2-Methyl-3,5-dioxo-4-oxa-9-thiatricyclo[5.3.0.0(2,6)]decane 9,9-dioxide
SYJBEJDMHATDLU-UHFFFAOYSA-N
This compound is available in the following databases:
KnowItAll GC-MS Library
Author: Wiley
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Wiley Registry of Mass Spectral Data 2026
Author: Wiley
The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library Learn more.