Dataset
1H--1H correlation spectroscopy (1H-1H COSY) ((6S,12R)-6-benzyl-4-cyclohexyl-10-prop-2-enyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone)
Chemical Info
InChI | InChI=1S/C27H36N4O4/c1-2-15-29-18-24(32)28-22(17-20-10-5-3-6-11-20)26(34)31(21-12-7-4-8-13-21)19-25(33)30-16-9-14-23(30)27(29)35/h2-3,5-6,10-11,21-23H,1,4,7-9,12-19H2,(H,28,32)/t22-,23+/m0/s1 |
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SMILES | C=CCN1CC(O)=N[C@@H](Cc2ccccc2)C(=O)N(C2CCCCC2)CC(=O)N2CCC[C@@H]2C1=O |
InChI Key | QVAADPPLQSWGQE-XZOQPEGZSA-N |
Molecular Formula | C27H36N4O4 |
Exact Mass | 480.609 g/mol |
Data and Resources
Related Resources
This dataset related as IsPartOf to https://dx.doi.org/10.14272/QVAADPPLQSWGQE-XZOQPEGZSA-N.1
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-sa/4.0 |
Source | |
Version | |
Author | Herlan, Claudine |
Maintainer | chemotion.net |
Language | en |
MetadataCreated | 2022-10-06T16:32:06.360443 |
MetadataModified | 2022-10-06T16:32:06.360450 |
MetadataPublished |
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Measurement Technique | |
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