Dataset
Epifadin at 303 K in DMSO batch 1.1d
Chemical Info
InChI | InChI=1S/C46H53N7O12/c1-28(17-11-7-5-3-2-4-6-8-16-22-36(54)40-41(60)32(26-38(56)57)50-46(40)65)49-43(62)34(25-37(48)55)52-45(64)35(27-39(58)59)53-44(63)33(24-30-20-14-10-15-21-30)51-42(61)31(47)23-29-18-12-9-13-19-29/h2-5,7,9-22,31-35,40H,6,8,23-27,47H2,1H3,(H2,48,55)(H,49,62)(H,50,65)(H,51,61)(H,52,64)(H,53,63)(H,56,57)(H,58,59)/b4-2+,5-3+,11-7+,22-16+,28-17+/t31-,32?,33+,34+,35-,40?/m0/s1 |
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SMILES | C/C(=C\C=C\C=C\C=C\CC/C=C/C(=O)C1C(=O)NC(CC(=O)O)C1=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC1=CC=CC=C1 |
InChI Key | MQVOIJBOGSAGIE-KQJIHHCBSA-N |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.57992/nmrxiv.p18.s88.d515 |
License URL | https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode |
Source | https://nmrxiv.org/D515 |
Version | |
Author | |
Maintainer | |
Language | english |
MetadataCreated | 2024-04-22T16:06:47.043620 |
MetadataModified | 2024-09-23T09:31:46.149984 |
MetadataPublished | 2023-11-30 09:55:03 |
Field | Value |
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Measurement Technique | 1H nuclear magnetic resonance spectroscopy |
Measurement Variables |
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