Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C31H33N5O4/c37-28-21-34(19-24-11-5-2-6-12-24)31(40)27-14-8-16-36(27)29(38)22-35(20-25-13-7-15-32-18-25)30(39)26(33-28)17-23-9-3-1-4-10-23/h1-7,9-13,15,18,26-27H,8,14,16-17,19-22H2,(H,33,37)/t26-,27+/m0/s1
SMILES	O=C1N[C@@H](Cc2ccccc2)C(=O)N(Cc2cccnc2)CC(=O)N2[C@@H](C(=O)N(C1)Cc1ccccc1)CCC2
InChI Key	AODVFVMWIXMJLJ-RRPNLBNLSA-N
Molecular Formula	C31H33N5O4
Exact Mass	539.625 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/AODVFVMWIXMJLJ-RRPNLBNLSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/AODVFVMWIXMJLJ-RRPNLBNLSA-N/CHMO0000470
Version
Author	Claudine Herlan
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:03:55.532273
MetadataModified	2024-09-07T20:26:24.590243
MetadataPublished	2021-09-23

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables