| CAS Number | 250612-42-1 |
| Catalog Number | AG00BJ8L(AGN-PC-0R0TDG) |
| Chemical Name | Cyclo(RGDyK) ditrifluoroacetate |
| IUPAC Name | 2-[(2S,5R,8S,11S)-8-(4-aminobutyl)-11-[3-(diaminomethylideneamino)propyl]-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C27H41N9O8.2C2HF3O2/c28-10-2-1-4-18-24(42)34-17(5-3-11-31-27(29)30)23(41)32-14-21(38)33-20(13-22(39)40)26(44)36-19(25(43)35-18)12-15-6-8-16(37)9-7-15;2*3-2(4,5)1(6)7/h6-9,17-20,37H,1-5,10-14,28H2,(H,32,41)(H,33,38)(H,34,42)(H,35,43)(H,36,44)(H,39,40)(H4,29,30,31);2*(H,6,7)/t17-,18-,19+,20-;;/m0../s1 |
| InChI Key | CDDUWKKOPQABPG-TVSMIREGSA-N |
| MDL Number | MFCD20134101 |
| Molecular Formula | C31H43F6N9O12 |
| Molecular Weight | 847.7166 |
| SMILES | OC(C(F)(F)F)=O.O=C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N1)=O)CC(O)=O)=O)=O)CCCNC(N)=N)=O)CCCCN)[C@H]1CC2=CC=C(C=C2)O.OC(C(F)(F)F)=O |
| Synonyms | Cyclo(RGDyK) trifluoroacetate,
250612-42-1,
Cyclic Arg-Gly-Asp-D-Tyr-Lys,
MFCD20134101,
AKOS032945157,
HY-100563,
CS-0019707,
Cyclo(-Arg-Gly-Asp-D-Tyr-Lys) trifluoroacetate,
Deprotected cyclic RGDyK,
A15918,
|