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Catalog Number | CI-GU-0100 |
Product Name | Ilomastat |
CAS | 142880-36-2 |
Structure | |
Synonyms | (R)-n4-hydroxy-n1-[(s)-2-(1h-indol-3-yl)-1-methylcarbamoly-ethyl]-2-isobutyl-succinamide |
IUPAC Name | (2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide |
Molecular Weight | 388.5 g/mol |
Molecular Formula | C20H28N4O4 |
InChI | InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1 |
InChI Key | NITYDPDXAAFEIT-DYVFJYSZSA-N |
Purity | 95% |
Density | 1.228 g/mL |
Appearance | Solid |
Isomeric SMILES | CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NC |
pKa | 9.16±0.20 |