2-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-5-[(z)-n,n,n'-tris[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]pyrimidin-1-yl]acetic acid (CHEM348344)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 18:47:40 UTC | ||||||||
| Update Date | 2026-08-31 18:47:40 UTC | ||||||||
| Accession Number | CHEM348344 | ||||||||
| Identification | |||||||||
| Common Name | 2-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-5-[(z)-n,n,n'-tris[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]pyrimidin-1-yl]acetic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-5-[(z)-n,n,n'-tris[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]pyrimidin-1-yl]acetic acid is a chemical compound with the formula C32H49N5O13. With an average molecular weight of 711.80 g/mol, 2-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-5-[(z)-n,n,n'-tris[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]pyrimidin-1-yl]acetic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C32H49N5O13 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 711.333 g/mol | ||||||||
| CAS Registry Number | 1631157-62-4 | ||||||||
| IUPAC Name | 2-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-5-[(z)-n,n,n'-tris[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]pyrimidin-1-yl]acetic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)(C)OC(=O)N=C(C1=CN(C(=O)N=C1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC(=O)O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C | ||||||||
| InChI Identifier | InChI=1S/C32H49N5O13/c1-28(2,3)46-23(41)34-21(37(26(44)49-31(10,11)12)27(45)50-32(13,14)15)18-16-35(17-19(38)39)22(40)33-20(18)36(24(42)47-29(4,5)6)25(43)48-30(7,8)9/h16H,17H2,1-15H3,(H,38,39)/b34-21- | ||||||||
| InChI Key | HJQHDGKKRVXYMH-ZXSNDDASSA-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 | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
