Account Epofolate
- Catalog No. :
- ACGMDH719
- CAS No. :
- 958646-17-8
- Molecular Formula :
- C67H92N16O22S3
- Molecular Weight :
- 1569.76
IUPAC Name:(2R,5S,8S,11S,16S)-16-(4-(((2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl)amino)benzamido)-5,11-bis(carboxymethyl)-8-(3-((diaminomethylene)amino)propyl)-2-(((2-(((2-((1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-((E)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)-5,9-dioxo-4-oxa-17-azabicyclo[14.1.0]heptadecan-17-yl)ethoxy)carbonyl)oxy)ethyl)disulfaneyl)methyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazaheptadecanedioic acid
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Product Information
| Product Name | Epofolate |
|---|---|
| IUPAC Name | (2R,5S,8S,11S,16S)-16-(4-(((2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl)amino)benzamido)-5,11-bis(carboxymethyl)-8-(3-((diaminomethylene)amino)propyl)-2-(((2-(((2-((1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-((E)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)-5,9-dioxo-4-oxa-17-azabicyclo[14.1.0]heptadecan-17-yl)ethoxy)carbonyl)oxy)ethyl)disulfaneyl)methyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazaheptadecanedioic acid |
| Molecular Formula | C67H92N16O22S3 |
| Molecular Weight | 1569.76 |
| SMILES | O=C(O)[C@H](CSSCCOC(OCCN([C@@]1([H])C[C@@H](/C(C)=C/C2=CSC(C)=N2)OC(C[C@H](O)C3(C)C)=O)[C@]1([H])CCC[C@H](C)[C@H](O)[C@@H](C)C3=O)=O)NC([C@H](CC(O)=O)NC([C@H](CCCNC(N)=N)NC([C@H](CC(O)=O)NC(CC[C@H](NC(C4=CC=C(NCC5=CNC6=NC(N)=NC(C6=N5)=O)C=C4)=O)C(O)=O)=O)=O)=O)=O |
| InChI Key | TURJYGRXEJIBGT-OCOMGVANSA-N |
| Synonym | L-Alanine, N-[4-[[(2-amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-γ-glutamyl-L-α-aspartyl-L-arginyl-L-α-aspartyl-3-[[2-[[[2-[(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-5,9-dioxo-4-oxa-17-azabicyclo[14.1.0]heptadec-17-yl]ethoxy]carbonyl]oxy]ethyl]dithio]-;L-Alanine, N-[4-[[(2-amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-γ-glutamyl-L-α-aspartyl-L-arginyl-L-α-aspartyl-3-[[2-[[[2-[(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-5,9-dioxo-4-oxa-17-azabicyclo[14.1.0]heptadec...;Epofolate |
| CAS No. | 958646-17-8 |
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