Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C30H46N4O5/c1-7-9-11-22-26(35)32-23(18-20-13-15-21(16-14-20)39-30(4,5)6)27(36)33-25(19(3)8-2)29(38)34-17-10-12-24(34)28(37)31-22/h13-16,19,22-25H,7-12,17-18H2,1-6H3,(H,31,37)(H,32,35)(H,33,36)/t19?,22-,23-,24+,25-/m0/s1
SMILES	CCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)OC(C)(C)C)C(CC)C
InChI Key	COKMBPOIBWKRDB-MTMGMADNSA-N
Molecular Formula	C30H46N4O5
Exact Mass	542.710 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/COKMBPOIBWKRDB-MTMGMADNSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/COKMBPOIBWKRDB-MTMGMADNSA-N/Mass
Version
Author	Claudine Herlan
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:48:13.862453
MetadataModified	2024-09-07T14:41:01.821382
MetadataPublished	2019-01-31

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
137321247	PubChem
The data in this table is sourced from UniChem at EBI.