Dataset

keenamide A stereoisomer D-Leu L-Tzn[COSY]

This dataset contains NMR spectra obtained for the sample -keenamide A stereoisomer D-Leu L-Tzn date: 2021-02-24T10:34:41.000Z isFt: true name: keenamide A stereoisomer D-Leu L-Tzn/0 phc0: -262.8202 phc1: 843.15 type: NMR Spectrum DECIM: 469.333333333333 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 48.381022089093 isComplex: true probeName: Z123730_0006 (PA TXI 700S3 H-C/N-D-05 Z) experiment: 1d groupDelay: 67.9932556152344 temperature: 293.2004 spectrumSize: 32768 baseFrequency: 176.1408651 fieldStrength: 16.448855244371696 numberOfScans: 1024 pulseSequence: zgpg30 spectralWidth: 241.905110445465 numberOfPoints: 6 relaxationTime: 2 acquisitionTime: 0.00005866666666666664 frequencyOffset: 17614.086999998333 originFrequency: 176.158479187 pulseStrength90: 22727.272727272728 experimentNumber: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 3 date: 2021-02-24T08:29:14.000Z isFt: true name: keenamide A stereoisomer D-Leu L-Tzn/0 phc0: 152.612 phc1: 3.112526 type: NMR Spectrum DECIM: 1904 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 2.99903880194294 isComplex: true probeName: Z123730_0006 (PA TXI 700S3 H-C/N-D-05 Z) experiment: 1d groupDelay: 76 temperature: 293.2 spectrumSize: 65536 baseFrequency: 700.5 fieldStrength: 16.452359895070167 numberOfScans: 4 pulseSequence: zg30 spectralWidth: 14.9951940097147 numberOfPoints: 6 relaxationTime: 5 acquisitionTime: 0.00023799999999999996 frequencyOffset: 4553.249999958098 originFrequency: 700.50455325 pulseStrength90: 28636.8843069874 experimentNumber: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 3 date: 2021-02-24T08:30:30.000Z isFt: true name: keenamide A stereoisomer D-Leu L-Tzn/0 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 1904 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 7.49759700485735 isComplex: false probeName: Z123730_0006 (PA TXI 700S3 H-C/N-D-05 Z) experiment: cosy groupDelay: 67.9868774414062 temperature: 293.2152 spectrumSize: 4096,1024 baseFrequency: 700.5,700.5 fieldStrength: 16.452359895070167 numberOfScans: 4 pulseSequence: cosygpmfppqf spectralWidth: 14.9951940097147,14.9951940097147 numberOfPoints: 3 relaxationTime: 1 acquisitionTime: 0.00009519999999999998 frequencyOffset: 4553.249999958098,4553.249999958098 originFrequency: 700.50455325,700.50455325 pulseStrength90: 28636.8843069874 experimentNumber: 0 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,100 windowMultiplicationMode: 4,4 date: 2021-02-24T09:14:26.000Z isFt: true name: keenamide A stereoisomer D-Leu L-Tzn/0 phc0: 45.84078,0 phc1: -11.3,0 type: NMR Spectrum DECIM: 1904 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 2.99903880194294 isComplex: false probeName: Z123730_0006 (PA TXI 700S3 H-C/N-D-05 Z) experiment: hsqc groupDelay: 67.9868774414062 temperature: 293.6734 spectrumSize: 2048,512 baseFrequency: 700.5,176.1408651 fieldStrength: 16.452359895070167 numberOfScans: 8 pulseSequence: hsqcedetgpsp.3 spectralWidth: 14.9951940097147,199.88403492263 numberOfPoints: 6 relaxationTime: 1 acquisitionTime: 0.00023799999999999996 frequencyOffset: 4553.249999958098,17614.086509979643 originFrequency: 700.50455325,176.15847918651 pulseStrength90: 28636.8843069874 experimentNumber: 0 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4

Chemical Information

InChI	InChI=1S/C30H48N6O6S/c1-8-18(5)24-29(41)36-12-10-11-22(36)27(40)31-14-23(37)32-20(15-42-30(6,7)9-2)25(38)33-19(13-17(3)4)28-34-21(16-43-28)26(39)35-24/h9,17-22,24H,2,8,10-16H2,1,3-7H3,(H,31,40)(H,32,37)(H,33,38)(H,35,39)/t18-,19+,20-,21-,22-,24-/m0/s1
SMILES	C=CC(C)(C)OC[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CSC(=N2)[C@@H](CC(C)C)NC1=O
InChI Key	FCGBWFPYRURNCX-AVDPZCKDSA-N

Data and Resources

keenamide A stereoisomer D-Leu L-Tzn[COSY]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p92.s826.d4086
License URL
Source	https://nmrxiv.org/D4086
Version
Author	Koch L, Wiedemann C, Parthier C, Seidel RW, Stubbs MT, Schutkowski M, Meleshin M.
Maintainer
Language	english
MetadataPublished	2026-01-07T07:33:00.000000Z
Related Molecule

Field	Value
Measurement Technique	correlation spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['1H', '1H'] NMR spectrum by dimensionality : 2 NMR probe : Z123730_0006 (PA TXI 700S3 H-C/N-D-05 Z) Temperature : 293.2152 K magnetic field strength : 16.452359895070167 Tesla number of scans : 4 scans nuclear magnetic resonance pulse sequence : cosygpmfppqf Spectral Width : [14.9951940097147, 14.9951940097147] number of data points : 3 points relaxation time measurement : 1 seconds

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.