(2s)-2-[[(2s)-2-[[(2s)-4-amino-4-oxo-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-6-(octanoylamino)hexanoic acid (CHEM214226)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-22 11:34:59 UTC | ||||||||
| Update Date | 2026-08-22 11:34:59 UTC | ||||||||
| Accession Number | CHEM214226 | ||||||||
| Identification | |||||||||
| Common Name | (2s)-2-[[(2s)-2-[[(2s)-4-amino-4-oxo-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-6-(octanoylamino)hexanoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | (2s)-2-[[(2s)-2-[[(2s)-4-amino-4-oxo-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-6-(octanoylamino)hexanoic 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 683.80 g/mol, (2s)-2-[[(2s)-2-[[(2s)-4-amino-4-oxo-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-6-(octanoylamino)hexanoic acid is a heavy molecule. Its chemical formula is C34H49N7O8. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C34H49N7O8 | ||||||||
| Average Molecular Mass | 683.800 g/mol | ||||||||
| Monoisotopic Mass | 683.364 g/mol | ||||||||
| CAS Registry Number | 1026276-22-1 | ||||||||
| IUPAC Name | (2S)-2-[[(2S)-2-[[(2S)-4-amino-4-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-(octanoylamino)hexanoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C34H49N7O8/c1-2-3-4-5-6-14-29(43)36-17-10-9-13-25(34(48)49)39-32(46)26(18-21-20-37-23-12-8-7-11-22(21)23)40-33(47)27(19-28(35)42)41-31(45)24-15-16-30(44)38-24/h7-8,11-12,20,24-27,37H,2-6,9-10,13-19H2,1H3,(H2,35,42)(H,36,43)(H,38,44)(H,39,46)(H,40,47)(H,41,45)(H,48,49)/t24-,25-,26-,27-/m0/s1 | ||||||||
| InChI Key | RFDMQNKNNCOSFL-FWEHEUNISA-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 | ||||||||
