(1r,2s,5s)-3-[(2s)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-n-[(2s,3s)-4-(hexylamino)-3-hydroxy-4-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]-3-sulfanylbutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (CHEM348870)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 19:36:29 UTC | ||||||||
| Update Date | 2026-08-31 19:36:29 UTC | ||||||||
| Accession Number | CHEM348870 | ||||||||
| Identification | |||||||||
| Common Name | (1r,2s,5s)-3-[(2s)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-n-[(2s,3s)-4-(hexylamino)-3-hydroxy-4-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]-3-sulfanylbutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide | ||||||||
| Class | Small Molecule | ||||||||
| Description | (1r,2s,5s)-3-[(2s)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-n-[(2s,3s)-4-(hexylamino)-3-hydroxy-4-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]-3-sulfanylbutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide is a chemical compound with the formula C33H58N6O6S. With an average molecular weight of 666.90 g/mol, (1r,2s,5s)-3-[(2s)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-n-[(2s,3s)-4-(hexylamino)-3-hydroxy-4-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]-3-sulfanylbutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C33H58N6O6S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 666.414 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (1r,2s,5s)-3-[(2s)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-n-[(2s,3s)-4-(hexylamino)-3-hydroxy-4-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]-3-sulfanylbutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCCNC(=O)C(C(CC1CCNC1=O)NC(=O)C2C3C(C3(C)C)CN2C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)(O)S | ||||||||
| InChI Identifier | InChI=1S/C33H58N6O6S/c1-10-11-12-13-15-35-28(43)33(45,46)21(17-19-14-16-34-25(19)40)36-26(41)23-22-20(32(22,8)9)18-39(23)27(42)24(30(2,3)4)37-29(44)38-31(5,6)7/h19-24,45-46H,10-18H2,1-9H3,(H,34,40)(H,35,43)(H,36,41)(H2,37,38,44)/t19-,20-,21-,22-,23-,24+,33-/m0/s1 | ||||||||
| InChI Key | LWFVRPSIPXCGHH-IHBVPAAKSA-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 | ||||||||
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| 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 | ||||||||
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| Not Available | |||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
