Dataset

1_Fmoc_Trt_Asn_OH_BCH-015_Fmoc_Trityl_ASN_03_17_2025_FULL[25]

Chemical Information

InChI	InChI=1S/C38H32N2O5/c41-35(40-38(26-14-4-1-5-15-26,27-16-6-2-7-17-27)28-18-8-3-9-19-28)24-34(36(42)43)39-37(44)45-25-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)33/h1-23,33-34H,24-25H2,(H,39,44)(H,40,41)(H,42,43)/t34-/m0/s1
SMILES	O=C(C[C@H](NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2)C(=O)O)NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
InChI Key	KJYAFJQCGPUXJY-UMSFTDKQSA-N

Data and Resources

• 1_Fmoc_Trt_Asn_OH_BCH-015_Fmoc_Trityl_ASN_03_17...HTML
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• correlation-spectro...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p110.s1136.d4927
License URL	https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source	https://nmrxiv.org/D4927
Version
Author
Maintainer
Language	english
MetadataPublished	2025-04-28T17:52:48.000000Z
Related Molecule

Field	Value
Measurement Technique	correlation spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['1H', '1H'] NMR spectrum by dimensionality : 2 NMR probe : Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) Temperature : 298.1494 K magnetic field strength : 11.746350827011339 Tesla number of scans : 1 scans nuclear magnetic resonance pulse sequence : cosygpppqf Spectral Width : [12.9835593399742, 12.9835593399742] number of data points : [2048, 32] points relaxation time measurement : 2 seconds

Data-Source Molecule ID	Data-Source
30157339	eMolecules
16212253	PubChem: Thomson Pharma
132388-59-1	ACToR
513125	eMolecules
SCHEMBL118112	SureChEMBL
J956.314H	Nikkaji
ZINC000004284054	ZINC
DTXSID80348710	EPA CompTox Dashboard
640248	PubChem
The data in this table is sourced from UniChem at EBI.