Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C31H37N5O4/c1-2-3-13-25-29(38)34-26(17-22-18-32-24-14-8-7-12-23(22)24)31(40)35(19-21-10-5-4-6-11-21)20-28(37)36-16-9-15-27(36)30(39)33-25/h4-8,10-12,14,18,25-27,32H,2-3,9,13,15-17,19-20H2,1H3,(H,33,39)(H,34,38)/t25-,26-,27+/m0/s1
SMILES	CCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)CN(C(=O)[C@@H](NC1=O)Cc1c[nH]c2c1cccc2)Cc1ccccc1
InChI Key	QNHXEQKAMFHKSO-GMQQYTKMSA-N
Molecular Formula	C31H37N5O4
Exact Mass	543.657 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/QNHXEQKAMFHKSO-GMQQYTKMSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/QNHXEQKAMFHKSO-GMQQYTKMSA-N/CHMO0000470
Version
Author	Claudine Herlan
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:04:34.994970
MetadataModified	2024-09-07T20:27:13.647774
MetadataPublished	2021-09-23

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables