Pyridin-4-ylmethyl 4-methyl-2-[[3-methyl-2-[[2-[[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoylamino]propanoylamino]-3-(4-nitrophenyl)propanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]pentanoate (CHEM220391)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-22 19:35:29 UTC | ||||||||
| Update Date | 2026-08-22 19:35:29 UTC | ||||||||
| Accession Number | CHEM220391 | ||||||||
| Identification | |||||||||
| Common Name | Pyridin-4-ylmethyl 4-methyl-2-[[3-methyl-2-[[2-[[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoylamino]propanoylamino]-3-(4-nitrophenyl)propanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]pentanoate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Pyridin-4-ylmethyl 4-methyl-2-[[3-methyl-2-[[2-[[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoylamino]propanoylamino]-3-(4-nitrophenyl)propanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]pentanoate 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 1,050 g/mol, Pyridin-4-ylmethyl 4-methyl-2-[[3-methyl-2-[[2-[[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoylamino]propanoylamino]-3-(4-nitrophenyl)propanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]pentanoate is a heavy molecule. Its chemical formula is C55H71N9O12. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C55H71N9O12 | ||||||||
| Average Molecular Mass | 1050.200 g/mol | ||||||||
| Monoisotopic Mass | 1049.522 g/mol | ||||||||
| CAS Registry Number | 86063-97-0 | ||||||||
| IUPAC Name | pyridin-4-ylmethyl 4-methyl-2-[[3-methyl-2-[[2-[[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoylamino]propanoylamino]-3-(4-nitrophenyl)propanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]pentanoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C55H71N9O12/c1-33(2)28-45(53(71)75-32-40-24-26-56-27-25-40)61-52(70)46(34(3)4)63-51(69)43(29-37-16-12-10-13-17-37)60-50(68)42(31-39-20-22-41(23-21-39)64(73)74)59-48(66)36(6)57-47(65)35(5)58-49(67)44(30-38-18-14-11-15-19-38)62-54(72)76-55(7,8)9/h10-27,33-36,42-46H,28-32H2,1-9H3,(H,57,65)(H,58,67)(H,59,66)(H,60,68)(H,61,70)(H,62,72)(H,63,69) | ||||||||
| InChI Key | DDDZLWFGNQMCLJ-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 | ||||||||
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| 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 | ||||||||
