Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C30H31N5O4/c1-2-14-33-20-28(37)35-15-8-13-26(35)30(39)34(18-21-9-4-3-5-10-21)19-27(36)32-25(29(33)38)16-22-17-31-24-12-7-6-11-23(22)24/h1,3-7,9-12,17,25-26,31H,8,13-16,18-20H2,(H,32,36)/t25-,26+/m0/s1
SMILES	C#CCN1CC(=O)N2CCC[C@@H]2C(=O)N(CC(=O)N[C@H](C1=O)Cc1c[nH]c2c1cccc2)Cc1ccccc1
InChI Key	JNYGPFMRSWXVCE-IZZNHLLZSA-N
Molecular Formula	C30H31N5O4
Exact Mass	525.598 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/JNYGPFMRSWXVCE-IZZNHLLZSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/JNYGPFMRSWXVCE-IZZNHLLZSA-N/CHMO0000470
Version
Author	Claudine Herlan
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:02:29.072883
MetadataModified	2024-09-07T20:24:29.680510
MetadataPublished	2021-09-23

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables