Dataset

mollamide C[1H 500 MHz]

Chemical Information

InChI	InChI=1S/C30H46N6O6S/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/h9,16-20,22,24H,2,8,10-15H2,1,3-7H3,(H,31,40)(H,32,37)(H,33,38)(H,35,39)/t18-,19-,20-,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)C2=CSC(=N2)[C@H](CC(C)C)NC1=O
InChI Key	XUWMKNIBSBACMR-RNDDGGPQSA-N
Exact Mass	618.800 g/mol

Data and Resources

• mollamide C[1H 500 MHz]HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p92.s836.d4115
License URL
Source	https://nmrxiv.org/D4115
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
Measurement Variables	NMR solvent : cdcl3 acquisition nucleus : ['1H'] NMR spectrum by dimensionality : 1 NMR probe : Temperature : 27 K magnetic field strength : Tesla number of scans : scans nuclear magnetic resonance pulse sequence : Spectral Width : 16.034811827755103 number of data points : 32768 points relaxation time measurement : seconds

Data-Source Molecule ID	Data-Source
24899403	pubchem
The data in this table is sourced from UniChem at EBI.