3-[[6-amino-4-[[2-[[5-amino-2-[[2-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-6-oxohexanoyl]oxymethyl]-7-[(5-amino-5-carboxypentanoyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CHEM216876)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-22 15:02:26 UTC | ||||||||
| Update Date | 2026-08-22 15:02:26 UTC | ||||||||
| Accession Number | CHEM216876 | ||||||||
| Identification | |||||||||
| Common Name | 3-[[6-amino-4-[[2-[[5-amino-2-[[2-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-6-oxohexanoyl]oxymethyl]-7-[(5-amino-5-carboxypentanoyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  Structure for CHEM216876: 3-[[6-amino-4-[[2-[[5-amino-2-[[2-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-6-oxohexanoyl]oxymethyl]-7-[(5-amino-5-carboxypentanoyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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| Synonyms | Not Available | ||||||||
| Chemical Formula | C47H79N13O18S | ||||||||
| Average Molecular Mass | 1146.300 g/mol | ||||||||
| Monoisotopic Mass | 1145.539 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 3-[[6-amino-4-[[2-[[5-amino-2-[[2-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-6-oxohexanoyl]oxymethyl]-7-[(5-amino-5-carboxypentanoyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C47H79N13O18S/c1-21(2)34(57-38(67)26(11-8-14-48)53-40(69)29(18-61)56-37(66)23(5)50)41(70)54-27(12-9-15-49)39(68)58-35(22(3)4)42(71)55-28(16-31(52)63)30(62)17-33(65)78-19-24-20-79-46-47(77-6,45(76)60(46)36(24)44(74)75)59-32(64)13-7-10-25(51)43(72)73/h21-23,25-30,34-35,46,61-62H,7-20,48-51H2,1-6H3,(H2,52,63)(H,53,69)(H,54,70)(H,55,71)(H,56,66)(H,57,67)(H,58,68)(H,59,64)(H,72,73)(H,74,75) | ||||||||
| InChI Key | FGXDXPRKJSRQLP-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 | ||||||||
| 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 | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
