2-[[(2r)-2-amino-3-[(e)-n-hydroxy-c-(1h-indol-3-ylmethyl)carbonimidoyl]sulfanylpropanoyl]amino]acetic acid (CHEM292979)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-28 13:19:29 UTC | ||||||||
| Update Date | 2026-08-28 13:19:29 UTC | ||||||||
| Accession Number | CHEM292979 | ||||||||
| Identification | |||||||||
| Common Name | 2-[[(2r)-2-amino-3-[(e)-n-hydroxy-c-(1h-indol-3-ylmethyl)carbonimidoyl]sulfanylpropanoyl]amino]acetic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-[[(2r)-2-amino-3-[(e)-n-hydroxy-c-(1h-indol-3-ylmethyl)carbonimidoyl]sulfanylpropanoyl]amino]acetic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the formula C15H18N4O4S and an average molecular weight of 350.40 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C15H18N4O4S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 350.105 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 2-[[(2r)-2-amino-3-[(e)-n-hydroxy-c-(1h-indol-3-ylmethyl)carbonimidoyl]sulfanylpropanoyl]amino]acetic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1=CC=C2C(=C1)C(=CN2)CC(=NO)SCC(C(=O)NCC(=O)O)N | ||||||||
| InChI Identifier | InChI=1S/C15H18N4O4S/c16-11(15(22)18-7-14(20)21)8-24-13(19-23)5-9-6-17-12-4-2-1-3-10(9)12/h1-4,6,11,17,23H,5,7-8,16H2,(H,18,22)(H,20,21)/b19-13+/t11-/m0/s1 | ||||||||
| InChI Key | PQEHILHGDWJAOT-YODGCNRUSA-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 | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
