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
Metadata Information
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 |