Dataset

keenamide A stereoisomer L-Leu L-Tzn originally proposed structure[COSY]

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-KESUXUJOSA-N
Exact Mass	620.800 g/mol

Data and Resources

• keenamide A stereoisomer L-Leu L-Tzn...HTML
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• correlation-spectro...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p92.s835.d4112
License URL
Source	https://nmrxiv.org/D4112
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 : 293.1606 K magnetic field strength : 16.452359895070167 Tesla number of scans : 4 scans nuclear magnetic resonance pulse sequence : cosygpmfppqf Spectral Width : [11.0150102221985, 11.0150102221985] number of data points : 5 points relaxation time measurement : 1 seconds

Data-Source Molecule ID	Data-Source
70025470	NMRShiftDB
21585454	PubChem
ZINC000005845259	ZINC
The data in this table is sourced from UniChem at EBI.