Dataset
mass spectrometry (MS) (3-[(3S,6S,9S,12R)-3-butan-2-yl-6-[(4-hydroxyphenyl)methyl]-2,5,8,11-tetraoxo-1,4,7,10-tetrazabicyclo[10.3.0]pentadecan-9-yl]propanoic acid)
Chemical Info
InChI | InChI=1S/C25H34N4O7/c1-3-14(2)21-25(36)29-12-4-5-19(29)24(35)26-17(10-11-20(31)32)22(33)27-18(23(34)28-21)13-15-6-8-16(30)9-7-15/h6-9,14,17-19,21,30H,3-5,10-13H2,1-2H3,(H,26,35)(H,27,33)(H,28,34)(H,31,32)/t14?,17-,18-,19+,21-/m0/s1 |
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SMILES | CCC(C)[C@@H]1N=C(O)[C@H](Cc2ccc(O)cc2)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H]2CCCN2C1=O |
InChI Key | XKOXVLDNALOEPV-OPFZVLEESA-N |
Molecular Formula | C25H34N4O7 |
Exact Mass | 502.568 g/mol |
Data and Resources
Related Resources
This dataset related as IsPartOf to https://dx.doi.org/10.14272/XKOXVLDNALOEPV-OPFZVLEESA-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 | 2022-10-06T16:31:58.133532 |
MetadataModified | 2022-10-06T16:31:58.133537 |
MetadataPublished |
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Measurement Technique | |
Measurement Variables |