Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C62H74N10O8/c1-3-5-25-49-57(75)67-51(33-43-35-63-47-27-15-13-23-45(43)47)61(79)69(37-41-19-9-7-10-20-41)40-56(74)72-32-18-30-54(72)60(78)66-50(26-6-4-2)58(76)68-52(34-44-36-64-48-28-16-14-24-46(44)48)62(80)70(38-42-21-11-8-12-22-42)39-55(73)71-31-17-29-53(71)59(77)65-49/h7-16,19-24,27-28,35-36,49-54,63-64H,3-6,17-18,25-26,29-34,37-40H2,1-2H3,(H,65,77)(H,66,78)(H,67,75)(H,68,76)/t49-,50-,51-,52-,53+,54+/m0/s1
SMILES	CCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)CN(Cc2ccccc2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2N(C(=O)CN(C(=O)[C@@H](NC1=O)Cc1c[nH]c3c1cccc3)Cc1ccccc1)CCC2)CCCC)Cc1c[nH]c2c1cccc2
InChI Key	OZJSFXFQYYVXCC-LLVUNYEQSA-N
Molecular Formula	C62H74N10O8
Exact Mass	1087.313 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/OZJSFXFQYYVXCC-LLVUNYEQSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/OZJSFXFQYYVXCC-LLVUNYEQSA-N/CHMO0000470
Version
Author	Claudine Herlan
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:04:31.804328
MetadataModified	2024-09-07T20:27:09.266481
MetadataPublished	2021-09-23

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables