4-[[2-[2-[[2-[[2-[2-[[6-amino-2-[(2-aminobenzoyl)amino]hexanoyl]amino]propanoylamino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]hexanoylamino]-3-(4-nitrophenyl)propanoyl]amino]-5-[[1-[(1-amino-1-oxohexan-2-yl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid (CHEM220421)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-22 19:37:36 UTC | ||||||||
| Update Date | 2026-08-22 19:37:36 UTC | ||||||||
| Accession Number | CHEM220421 | ||||||||
| Identification | |||||||||
| Common Name | 4-[[2-[2-[[2-[[2-[2-[[6-amino-2-[(2-aminobenzoyl)amino]hexanoyl]amino]propanoylamino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]hexanoylamino]-3-(4-nitrophenyl)propanoyl]amino]-5-[[1-[(1-amino-1-oxohexan-2-yl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  Structure for CHEM220421: 4-[[2-[2-[[2-[[2-[2-[[6-amino-2-[(2-aminobenzoyl)amino]hexanoyl]amino]propanoylamino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]hexanoylamino]-3-(4-nitrophenyl)propanoyl]amino]-5-[[1-[(1-amino-1-oxohexan-2-yl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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| Synonyms | Not Available | ||||||||
| Chemical Formula | C56H88N16O14 | ||||||||
| Average Molecular Mass | 1209.400 g/mol | ||||||||
| Monoisotopic Mass | 1208.667 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 4-[[2-[2-[[2-[[2-[2-[[6-amino-2-[(2-aminobenzoyl)amino]hexanoyl]amino]propanoylamino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]hexanoylamino]-3-(4-nitrophenyl)propanoyl]amino]-5-[[1-[(1-amino-1-oxohexan-2-yl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C56H88N16O14/c1-7-9-18-38(46(59)75)65-47(76)32(5)64-51(80)42(26-27-44(73)74)68-54(83)43(30-34-22-24-35(25-23-34)72(85)86)70-52(81)39(19-10-8-2)69-55(84)45(31(3)4)71-53(82)41(21-15-29-62-56(60)61)66-48(77)33(6)63-50(79)40(20-13-14-28-57)67-49(78)36-16-11-12-17-37(36)58/h11-12,16-17,22-25,31-33,38-43,45H,7-10,13-15,18-21,26-30,57-58H2,1-6H3,(H2,59,75)(H,63,79)(H,64,80)(H,65,76)(H,66,77)(H,67,78)(H,68,83)(H,69,84)(H,70,81)(H,71,82)(H,73,74)(H4,60,61,62) | ||||||||
| InChI Key | BXBJVWUVNVSLAM-UHFFFAOYSA-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 | ||||||||
