(2s,5r,6r)-6-[[2-(4-hydroxyphenyl)-2-[[2-(4-methylpiperazin-1-yl)-5-oxo-8h-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CHEM345482)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 14:13:26 UTC | ||||||||
| Update Date | 2026-08-31 14:13:26 UTC | ||||||||
| Accession Number | CHEM345482 | ||||||||
| Identification | |||||||||
| Common Name | (2s,5r,6r)-6-[[2-(4-hydroxyphenyl)-2-[[2-(4-methylpiperazin-1-yl)-5-oxo-8h-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C29H32N8O7S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 636.211 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| 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)N6CCN(CC6)C)C(=O)O)C | ||||||||
| InChI Identifier | InChI=1S/C29H32N8O7S/c1-29(2)21(27(43)44)37-25(42)19(26(37)45-29)33-24(41)18(14-4-6-15(38)7-5-14)32-23(40)17-13-30-22-16(20(17)39)12-31-28(34-22)36-10-8-35(3)9-11-36/h4-7,12-13,18-19,21,26,38H,8-11H2,1-3H3,(H,32,40)(H,33,41)(H,43,44)(H,30,31,34,39)/t18?,19-,21+,26-/m1/s1 | ||||||||
| InChI Key | NKCANKJXLFZTGM-JHGBVSNDSA-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 | |||||||||
| 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 | ||||||||
