(2s,5r,6r)-6-[[(2r)-2-[[2-(4,4-dimethylpiperazin-4-ium-1-yl)-5-oxo-8h-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CHEM346616)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 15:58:00 UTC | ||||||||
| Update Date | 2026-08-31 15:58:00 UTC | ||||||||
| Accession Number | CHEM346616 | ||||||||
| Identification | |||||||||
| Common Name | (2s,5r,6r)-6-[[(2r)-2-[[2-(4,4-dimethylpiperazin-4-ium-1-yl)-5-oxo-8h-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | (2s,5r,6r)-6-[[(2r)-2-[[2-(4,4-dimethylpiperazin-4-ium-1-yl)-5-oxo-8h-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid is a compound with the formula C30H35N8O7S+. With an average molecular weight of 651.70 g/mol, (2s,5r,6r)-6-[[(2r)-2-[[2-(4,4-dimethylpiperazin-4-ium-1-yl)-5-oxo-8h-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C30H35N8O7S+ | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 651.235 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (2s,5r,6r)-6-[[(2r)-2-[[2-(4,4-dimethylpiperazin-4-ium-1-yl)-5-oxo-8h-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)NC(=O)C4=CNC5=NC(=NC=C5C4=O)N6CC[N+](CC6)(C)C)C(=O)O)C | ||||||||
| InChI Identifier | InChI=1S/C30H34N8O7S/c1-30(2)22(28(44)45)37-26(43)20(27(37)46-30)34-25(42)19(15-5-7-16(39)8-6-15)33-24(41)18-14-31-23-17(21(18)40)13-32-29(35-23)36-9-11-38(3,4)12-10-36/h5-8,13-14,19-20,22,27H,9-12H2,1-4H3,(H4-,31,32,33,34,35,39,40,41,42,44,45)/p+1/t19-,20-,22+,27-/m1/s1 | ||||||||
| InChI Key | XPMZEOIAXSENPG-IBQJQCCNSA-O | ||||||||
| 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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| 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 | ||||||||
