(2s)-2-[[(2r)-6-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-(2-aminobutanoylamino)-5-decan-5-yloxy-4-methylsulfinyl-5-oxopentanoyl]amino]-3-(4h-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-phenylpropanoic acid (CHEM220281)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-22 19:28:12 UTC | ||||||||
| Update Date | 2026-08-22 19:28:12 UTC | ||||||||
| Accession Number | CHEM220281 | ||||||||
| Identification | |||||||||
| Common Name | (2s)-2-[[(2r)-6-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-(2-aminobutanoylamino)-5-decan-5-yloxy-4-methylsulfinyl-5-oxopentanoyl]amino]-3-(4h-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-phenylpropanoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | (2s)-2-[[(2r)-6-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-(2-aminobutanoylamino)-5-decan-5-yloxy-4-methylsulfinyl-5-oxopentanoyl]amino]-3-(4h-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-phenylpropanoic acid has the chemical formula C50H75N9O10S. With an average molecular weight of 994.30 g/mol, (2s)-2-[[(2r)-6-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-(2-aminobutanoylamino)-5-decan-5-yloxy-4-methylsulfinyl-5-oxopentanoyl]amino]-3-(4h-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-phenylpropanoic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C50H75N9O10S | ||||||||
| Average Molecular Mass | 994.300 g/mol | ||||||||
| Monoisotopic Mass | 993.536 g/mol | ||||||||
| CAS Registry Number | 132031-83-5 | ||||||||
| IUPAC Name | (2S)-2-[[(2R)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(2-aminobutanoylamino)-5-decan-5-yloxy-4-methylsulfinyl-5-oxopentanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-phenylpropanoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C50H75N9O10S/c1-5-8-12-24-36(23-9-6-2)69-50(67)43(70(4)68)30-41(56-44(60)37(52)7-3)48(64)58-40(29-35-31-53-32-54-35)47(63)57-39(27-33-19-13-10-14-20-33)46(62)55-38(25-17-18-26-51)45(61)59-42(49(65)66)28-34-21-15-11-16-22-34/h10-11,13-16,19-22,31-32,35-43H,5-9,12,17-18,23-30,51-52H2,1-4H3,(H,55,62)(H,56,60)(H,57,63)(H,58,64)(H,59,61)(H,65,66)/t35?,36?,37?,38-,39+,40+,41+,42+,43?,70?/m1/s1 | ||||||||
| InChI Key | WRSKQNYFHKIVPM-LDOUIJQZSA-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 | ||||||||
