(3s)-4-[[(2s)-1-[[(2s)-4-amino-1-[[(2s)-6-amino-1-[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]oxy-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-[[(2s)-2-amino-3-(1h-imidazol-5-yl)propanoyl]amino]-4-oxobutanoic acid (CHEM216839)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-22 14:59:19 UTC | ||||||||
| Update Date | 2026-08-22 14:59:19 UTC | ||||||||
| Accession Number | CHEM216839 | ||||||||
| Identification | |||||||||
| Common Name | (3s)-4-[[(2s)-1-[[(2s)-4-amino-1-[[(2s)-6-amino-1-[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]oxy-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-[[(2s)-2-amino-3-(1h-imidazol-5-yl)propanoyl]amino]-4-oxobutanoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | (3s)-4-[[(2s)-1-[[(2s)-4-amino-1-[[(2s)-6-amino-1-[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]oxy-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-[[(2s)-2-amino-3-(1h-imidazol-5-yl)propanoyl]amino]-4-oxobutanoic 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 1,084 g/mol, (3s)-4-[[(2s)-1-[[(2s)-4-amino-1-[[(2s)-6-amino-1-[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]oxy-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-[[(2s)-2-amino-3-(1h-imidazol-5-yl)propanoyl]amino]-4-oxobutanoic acid is a heavy molecule. Its chemical formula is C46H77N13O15S. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  Structure for CHEM216839: (3s)-4-[[(2s)-1-[[(2s)-4-amino-1-[[(2s)-6-amino-1-[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]oxy-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-[[(2s)-2-amino-3-(1h-imidazol-5-yl)propanoyl]amino]-4-oxobutanoic acid
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| Synonyms | Not Available | ||||||||
| Chemical Formula | C46H77N13O15S | ||||||||
| Average Molecular Mass | 1084.200 g/mol | ||||||||
| Monoisotopic Mass | 1083.538 g/mol | ||||||||
| CAS Registry Number | 118850-72-9 | ||||||||
| IUPAC Name | (3S)-4-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]oxy-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C46H77N13O15S/c1-22(2)14-29(58-44(71)37(50)24(5)6)40(67)57-32(19-36(63)64)43(70)59-33(15-23(3)4)46(73)74-45(72)28(10-8-9-12-47)54-41(68)30(17-34(49)60)56-39(66)27(11-13-75-7)53-42(69)31(18-35(61)62)55-38(65)26(48)16-25-20-51-21-52-25/h20-24,26-33,37H,8-19,47-48,50H2,1-7H3,(H2,49,60)(H,51,52)(H,53,69)(H,54,68)(H,55,65)(H,56,66)(H,57,67)(H,58,71)(H,59,70)(H,61,62)(H,63,64)/t26-,27-,28-,29-,30-,31-,32-,33-,37-/m0/s1 | ||||||||
| InChI Key | APVQHKQHSCNFIW-KSALCKNPSA-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 | ||||||||
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| Predicted Properties | Not Available | ||||||||
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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 | ||||||||
