Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C31H37N5O4/c1-2-3-13-24-28(37)34-25(18-21-19-32-23-14-8-7-12-22(21)23)29(38)35-26(17-20-10-5-4-6-11-20)31(40)36-16-9-15-27(36)30(39)33-24/h4-8,10-12,14,19,24-27,32H,2-3,9,13,15-18H2,1H3,(H,33,39)(H,34,37)(H,35,38)/t24-,25-,26-,27+/m0/s1
SMILES	CCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1c[nH]c2c1cccc2)Cc1ccccc1
InChI Key	YWQIDXIQUKYLGZ-YIPNQBBMSA-N
Molecular Formula	C31H37N5O4
Exact Mass	543.657 g/mol

Data and Resources

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Metadata Information

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• Measurement

Field	Value
DOI	10.14272/YWQIDXIQUKYLGZ-YIPNQBBMSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/YWQIDXIQUKYLGZ-YIPNQBBMSA-N/CHMO0000593
Version
Author	Claudine Herlan
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:05:00.791951
MetadataModified	2024-09-07T20:27:47.554311
MetadataPublished	2021-09-23

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables