Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Info

InChI	InChI=1S/C33H38N6O4/c1-19(2)14-26-30(40)36-27(15-20-17-34-24-10-5-3-8-22(20)24)31(41)38-28(16-21-18-35-25-11-6-4-9-23(21)25)33(43)39-13-7-12-29(39)32(42)37-26/h3-6,8-11,17-19,26-29,34-35H,7,12-16H2,1-2H3,(H,36,40)(H,37,42)(H,38,41)/t26-,27-,28-,29+/m0/s1
SMILES	CC(C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2)C
InChI Key	MQPKONIEQRYHFG-XFTNXAEASA-N
Molecular Formula	C33H38N6O4
Exact Mass	582.693 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MQPKONIEQRYHFG-XFTNXAEASA-N/CHMO0001150
License URL
Source	https://www.chemotion-repository.net/inchikey/MQPKONIEQRYHFG-XFTNXAEASA-N/CHMO0001150
Version
Author	Claudine Herlan
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:01:24.167936
MetadataModified	2024-09-07T20:22:56.293902
MetadataPublished	2021-09-23
Related Molecule

Field	Value
Measurement Technique	1H–1H correlation spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
156599651	PubChem
The data in this table is sourced from UniChem at EBI.