2-(Glutathion-S-yl)-3-(4-nitrophenyl)propanoic acid (CHEM121968)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 09:42:53 UTC | ||||||||
| Update Date | 2026-08-29 17:17:56 UTC | ||||||||
| Accession Number | CHEM121968 | ||||||||
| Identification | |||||||||
| Common Name | 2-(Glutathion-S-yl)-3-(4-nitrophenyl)propanoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-(Glutathion-S-yl)-3-(4-nitrophenyl)propanoic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 500.50 g/mol, 2-(Glutathion-S-yl)-3-(4-nitrophenyl)propanoic acid is a heavy molecule. Its chemical formula is C19H24N4O10S. This compound is found in or released from 13 recorded sources. Within the Electrical & Electronic Equipment sector, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. It is also found in textiles, leather & furnishings, specifically in carpets, rugs, and synthetic textiles. Other sources include food packaging from the food, food processing & cookware sector, as well as medical devices from the healthcare, pharmaceuticals & veterinary products sector. Additionally, the compound is identified in lubricants used in energy, oil & gas, as well as industrial manufacturing & chemical processing, and one further sector. Recorded exposure routes for this substance include inhalation, oral, and touch. | ||||||||
| Contaminant Sources | Not Available | ||||||||
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C19H24N4O10S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 500.121 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[1-carboxy-2-(4-nitrophenyl)ethyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1=CC(=CC=C1CC(C(=O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-] | ||||||||
| InChI Identifier | InChI=1S/C19H24N4O10S/c20-12(18(28)29)5-6-15(24)22-13(17(27)21-8-16(25)26)9-34-14(19(30)31)7-10-1-3-11(4-2-10)23(32)33/h1-4,12-14H,5-9,20H2,(H,21,27)(H,22,24)(H,25,26)(H,28,29)(H,30,31)/t12-,13-,14?/m0/s1 | ||||||||
| InChI Key | TUKINTUYICBBAJ-RFHHWMCGSA-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 | |||||||||
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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 | ||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
