(2s,5r,6r)-6-[[2-(4-hydroxyphenyl)-2-[(5-oxo-2-pyrrolidin-1-yl-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 (CHEM344056)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 12:05:01 UTC | ||||||||
| Update Date | 2026-08-31 12:05:01 UTC | ||||||||
| Accession Number | CHEM344056 | ||||||||
| Identification | |||||||||
| Common Name | (2s,5r,6r)-6-[[2-(4-hydroxyphenyl)-2-[(5-oxo-2-pyrrolidin-1-yl-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 | (2s,5r,6r)-6-[[2-(4-hydroxyphenyl)-2-[(5-oxo-2-pyrrolidin-1-yl-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 has the chemical formula C28H29N7O7S. With an average molecular weight of 607.60 g/mol, (2s,5r,6r)-6-[[2-(4-hydroxyphenyl)-2-[(5-oxo-2-pyrrolidin-1-yl-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 is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C28H29N7O7S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 607.185 g/mol | ||||||||
| CAS Registry Number | 65897-55-4 | ||||||||
| IUPAC Name | (2s,5r,6r)-6-[[2-(4-hydroxyphenyl)-2-[(5-oxo-2-pyrrolidin-1-yl-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 | ||||||||
| 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)N6CCCC6)C(=O)O)C | ||||||||
| InChI Identifier | InChI=1S/C28H29N7O7S/c1-28(2)20(26(41)42)35-24(40)18(25(35)43-28)32-23(39)17(13-5-7-14(36)8-6-13)31-22(38)16-12-29-21-15(19(16)37)11-30-27(33-21)34-9-3-4-10-34/h5-8,11-12,17-18,20,25,36H,3-4,9-10H2,1-2H3,(H,31,38)(H,32,39)(H,41,42)(H,29,30,33,37)/t17?,18-,20+,25-/m1/s1 | ||||||||
| InChI Key | KUWBAYRFQZZJCN-AIXNMGRTSA-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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| 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 | ||||||||
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| Not Available | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
