(3s,6r,9r,12s,15s,18r,21s)-12,18-bis(3-aminopropyl)-3,9-dibenzyl-6-(2-methylpropyl)-15-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone (CHEM352476)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-09-01 02:43:12 UTC | ||||||||
| Update Date | 2026-09-01 02:43:12 UTC | ||||||||
| Accession Number | CHEM352476 | ||||||||
| Identification | |||||||||
| Common Name | (3s,6r,9r,12s,15s,18r,21s)-12,18-bis(3-aminopropyl)-3,9-dibenzyl-6-(2-methylpropyl)-15-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C44H65N9O7 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 831.501 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (3s,6r,9r,12s,15s,18r,21s)-12,18-bis(3-aminopropyl)-3,9-dibenzyl-6-(2-methylpropyl)-15-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC3=CC=CC=C3)CCCN)C(C)C)CCCN)CC4=CC=CC=C4 | ||||||||
| InChI Identifier | InChI=1S/C44H65N9O7/c1-27(2)24-33-40(56)51-35(26-30-16-9-6-10-17-30)44(60)53-23-13-20-36(53)42(58)47-32(19-12-22-46)39(55)52-37(28(3)4)43(59)48-31(18-11-21-45)38(54)50-34(41(57)49-33)25-29-14-7-5-8-15-29/h5-10,14-17,27-28,31-37H,11-13,18-26,45-46H2,1-4H3,(H,47,58)(H,48,59)(H,49,57)(H,50,54)(H,51,56)(H,52,55)/t31-,32+,33+,34+,35-,36-,37-/m0/s1 | ||||||||
| InChI Key | AHKHTSZURIJILO-TWZNBABGSA-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 |
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| 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 | ||||||||
