N-[2-hydroxy-3-[18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-15,21,24,26,29,32,35-heptaoxo-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraen-28-yl]-2-methylpropyl]-n'-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]butanediamide (CHEM353331)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-09-01 04:31:56 UTC | ||||||||
| Update Date | 2026-09-01 04:31:56 UTC | ||||||||
| Accession Number | CHEM353331 | ||||||||
| Identification | |||||||||
| Common Name | N-[2-hydroxy-3-[18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-15,21,24,26,29,32,35-heptaoxo-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraen-28-yl]-2-methylpropyl]-n'-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]butanediamide | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  Structure for CHEM353331: N-[2-hydroxy-3-[18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-15,21,24,26,29,32,35-heptaoxo-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraen-28-yl]-2-methylpropyl]-n'-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]butanediamide
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| Synonyms | Not Available | ||||||||
| Chemical Formula | C47H57F3N12O12S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 1070.389 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1C(=O)NC2CC3=C(NC4=CC=CC=C34)SCC(C(=O)N5CC(CC5C(=O)N1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC(C)(CNC(=O)CCC(=O)NC6=CC=C(C=C6)C7(N=N7)C(F)(F)F)O)C)C(C)O | ||||||||
| InChI Identifier | InChI=1S/C47H57F3N12O12S/c1-21-37(67)55-30-16-28-27-7-5-6-8-29(27)58-43(28)75-19-32(44(73)62-18-26(64)15-33(62)41(71)53-21)57-42(72)36(23(3)63)59-38(68)22(2)52-40(70)31(56-39(30)69)17-45(4,74)20-51-34(65)13-14-35(66)54-25-11-9-24(10-12-25)46(60-61-46)47(48,49)50/h5-12,21-23,26,30-33,36,58,63-64,74H,13-20H2,1-4H3,(H,51,65)(H,52,70)(H,53,71)(H,54,66)(H,55,67)(H,56,69)(H,57,72)(H,59,68) | ||||||||
| InChI Key | CDKRLLOAOHGYMV-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra | |||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
