[(2s)-2-[[(2s)-2-aminopropanoyl]-[(2r)-2-[[(2s)-3-hydroxy-2-[[(2s,3r)-3-hydroxypyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-sulfanylidenepropanoyl]amino]propanoyl] 3,5-dihydroxy-2-methyl-6-(sulfanylmethyl)benzoate (CHEM210847)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-22 06:49:59 UTC | ||||||||
| Update Date | 2026-08-22 06:49:59 UTC | ||||||||
| Accession Number | CHEM210847 | ||||||||
| Identification | |||||||||
| Common Name | [(2s)-2-[[(2s)-2-aminopropanoyl]-[(2r)-2-[[(2s)-3-hydroxy-2-[[(2s,3r)-3-hydroxypyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-sulfanylidenepropanoyl]amino]propanoyl] 3,5-dihydroxy-2-methyl-6-(sulfanylmethyl)benzoate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C26H35N5O11S2 | ||||||||
| Average Molecular Mass | 657.700 g/mol | ||||||||
| Monoisotopic Mass | 657.177 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | [(2S)-2-[[(2S)-2-aminopropanoyl]-[(2R)-2-[[(2S)-3-hydroxy-2-[[(2S,3R)-3-hydroxypyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-sulfanylidenepropanoyl]amino]propanoyl] 3,5-dihydroxy-2-methyl-6-(sulfanylmethyl)benzoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C26H35N5O11S2/c1-10-17(34)6-18(35)13(8-43)19(10)26(41)42-25(40)12(3)31(23(38)11(2)27)24(39)15(9-44)30-21(36)14(7-32)29-22(37)20-16(33)4-5-28-20/h6,9,11-12,14-16,20,28,32-35,43H,4-5,7-8,27H2,1-3H3,(H,29,37)(H,30,36)/t11-,12-,14-,15-,16+,20-/m0/s1 | ||||||||
| InChI Key | NKIYYTUDHBVJTH-UBOLUKANSA-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 | ||||||||
