Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Info

InChI	InChI=1S/C30H41N5O5/c1-40-16-8-14-33-19-27(36)32-25(17-21-18-31-24-12-6-5-11-23(21)24)29(38)35(22-9-3-2-4-10-22)20-28(37)34-15-7-13-26(34)30(33)39/h5-6,11-12,18,22,25-26,31H,2-4,7-10,13-17,19-20H2,1H3,(H,32,36)/t25-,26+/m0/s1
SMILES	COCCCN1CC(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N(CC(=O)N2[C@@H](C1=O)CCC2)C1CCCCC1
InChI Key	UMUQNEUURUITIQ-IZZNHLLZSA-N
Molecular Formula	C30H41N5O5
Exact Mass	551.677 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/UMUQNEUURUITIQ-IZZNHLLZSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/UMUQNEUURUITIQ-IZZNHLLZSA-N/CHMO0001146
Version
Author	Claudine Herlan
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:02:57.560867
MetadataModified	2024-09-07T20:25:07.589867
MetadataPublished	2021-09-23

Field	Value
Measurement Technique	1H–13C heteronuclear single quantum coherence
Measurement Variables

Data-Source Molecule ID	Data-Source
156599653	PubChem
The data in this table is sourced from UniChem at EBI.