AC1L4L99
methyl 2-[[4-(hydroxymethyl)-6-methoxy-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate
Also Known As: (4,4'-Diaminopropionic acid)gramicidin S|Benzoic acid, 2-(((((4-(hydroxymethyl)-6-methoxy-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-, methyl ester|Methyl 2-({[4-(hydroxymethyl)-6-methoxy-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoate|methyl 2-[[4-(hydroxymethyl)-6-methoxy-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate
| Molecular Formula | C14H15N5O7S |
|---|---|
| Molecular Weight | 397.0692 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.0692 |
| Monoisotopic Mass | 397.0692 |
| Heavy Atoms | 27 |
| Complexity | 626.0 |
Chemical Identifiers
| CAS Number | 87644-24-4 |
|---|---|
| SMILES | COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)CO |
| InChIKey | CEGMTTZMOHSBKT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AC1L4L99 (CAS 87644-24-4), with molecular formula C14H15N5O7S and molecular weight 397.0692 g/mol. IUPAC: methyl 2-[[4-(hydroxymethyl)-6-methoxy-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate.
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