Dataset

high-performance liquid chromatography (HPLC)

Chemical Info

InChI	InChI=1S/C28H39N5O4/c1-4-6-11-21-25(34)31-22(15-18-16-29-20-12-8-7-10-19(18)20)26(35)32-24(17(3)5-2)28(37)33-14-9-13-23(33)27(36)30-21/h7-8,10,12,16-17,21-24,29H,4-6,9,11,13-15H2,1-3H3,(H,30,36)(H,31,34)(H,32,35)/t17-,21+,22+,23-,24+/m1/s1
SMILES	CCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1c[nH]c2c1cccc2)[C@@H](CC)C
InChI Key	WXSNWOUZJPINRH-RNBKDOAQSA-N
Molecular Formula	C28H39N5O4
Exact Mass	509.640 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/WXSNWOUZJPINRH-RNBKDOAQSA-N/CHMO0001009
License URL
Source	https://www.chemotion-repository.net/inchikey/WXSNWOUZJPINRH-RNBKDOAQSA-N/CHMO0001009
Version
Author	Claudine Herlan
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:08:18.712421
MetadataModified	2024-09-07T20:32:04.188970
MetadataPublished	2021-09-23

Field	Value
Measurement Technique	high-performance liquid chromatography
Measurement Variables

Data-Source Molecule ID	Data-Source
156599673	PubChem
The data in this table is sourced from UniChem at EBI.