5-[(3s)-3-(4-chlorophenyl)-4-[(1r)-1-(4-chlorophenyl)ethyl]-7-ethynyl-2,5-dioxo-3h-1,4-benzodiazepin-1-yl]pentanoic acid (CHEM213121)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-22 10:07:08 UTC | ||||||||
| Update Date | 2026-08-22 10:07:08 UTC | ||||||||
| Accession Number | CHEM213121 | ||||||||
| Identification | |||||||||
| Common Name | 5-[(3s)-3-(4-chlorophenyl)-4-[(1r)-1-(4-chlorophenyl)ethyl]-7-ethynyl-2,5-dioxo-3h-1,4-benzodiazepin-1-yl]pentanoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C30H26Cl2N2O4 | ||||||||
| Average Molecular Mass | 549.400 g/mol | ||||||||
| Monoisotopic Mass | 548.127 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 5-[(3S)-3-(4-chlorophenyl)-4-[(1R)-1-(4-chlorophenyl)ethyl]-7-ethynyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl]pentanoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C30H26Cl2N2O4/c1-3-20-7-16-26-25(18-20)29(37)34(19(2)21-8-12-23(31)13-9-21)28(22-10-14-24(32)15-11-22)30(38)33(26)17-5-4-6-27(35)36/h1,7-16,18-19,28H,4-6,17H2,2H3,(H,35,36)/t19-,28+/m1/s1 | ||||||||
| InChI Key | WRGLVOHNHGTKTI-GDJIYFAZSA-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 | ||||||||
