3-[1-(2-carboxyethyl)-16-[(4-nitrophenyl)carbamoyl]-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-8-yl]propanoic acid (CHEM211178)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-22 07:15:15 UTC | ||||||||
| Update Date | 2026-08-22 07:15:15 UTC | ||||||||
| Accession Number | CHEM211178 | ||||||||
| Identification | |||||||||
| Common Name | 3-[1-(2-carboxyethyl)-16-[(4-nitrophenyl)carbamoyl]-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-8-yl]propanoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3-[1-(2-carboxyethyl)-16-[(4-nitrophenyl)carbamoyl]-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-8-yl]propanoic acid belongs to the anthracenes, a class of benzenoids within the organic compounds. With an average molecular weight of 517.50 g/mol, 3-[1-(2-carboxyethyl)-16-[(4-nitrophenyl)carbamoyl]-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-8-yl]propanoic acid is a heavy molecule. Its chemical formula is C27H23N3O8. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C27H23N3O8 | ||||||||
| Average Molecular Mass | 517.500 g/mol | ||||||||
| Monoisotopic Mass | 517.149 g/mol | ||||||||
| CAS Registry Number | 1225023-87-9 | ||||||||
| IUPAC Name | 3-[1-(2-carboxyethyl)-16-[(4-nitrophenyl)carbamoyl]-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-8-yl]propanoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C27H23N3O8/c31-23(32)13-15-26-19-5-1-3-7-21(19)27(16-14-24(33)34,22-8-4-2-6-20(22)26)38-29(26)25(35)28-17-9-11-18(12-10-17)30(36)37/h1-12H,13-16H2,(H,28,35)(H,31,32)(H,33,34) | ||||||||
| InChI Key | IGXYVYDHRNQRAA-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 |
| ||||||||
| 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 | ||||||||
