| CAS Number | 1609010-56-1 |
| Catalog Number | AG01EQCT(AGN-PC-3H478F) |
| Chemical Name | Cho-Arg (trifluoroacetate salt) |
| IUPAC Name | [(4S)-4-azaniumyl-5-[[6-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-oxohexyl]amino]-5-oxopentyl]-(diaminomethylidene)azanium;2,2,2-trifluoroacetate |
| InChI | InChI=1S/C39H69N5O3.2C2HF3O2/c1-26(2)11-9-12-27(3)31-17-18-32-30-16-15-28-25-29(19-21-38(28,4)33(30)20-22-39(31,32)5)47-35(45)14-7-6-8-23-43-36(46)34(40)13-10-24-44-37(41)42;2*3-2(4,5)1(6)7/h15,26-27,29-34H,6-14,16-25,40H2,1-5H3,(H,43,46)(H4,41,42,44);2*(H,6,7)/t27-,29+,30+,31-,32+,33+,34+,38+,39-;;/m1../s1 |
| InChI Key | JUXKTYZUYMWLSD-VFBLCMJGSA-N |
| Molecular Formula | C43H71F6N5O7 |
| Molecular Weight | 884.0436 |
| SMILES | C[C@H](CCCC(C)C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](OC(CCCCCNC([C@@H]([NH3+])CCCNC(N)=[NH2+])=O)=O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C.[O-]C(C(F)(F)F)=O.[O-]C(C(F)(F)F)=O |
| Synonyms | 1609010-56-1,
cholest-5-en-3-ol(3beta)-3-[6-[[(2S)-2-amino-5-[(aminoiminomethyl)amino]-1-oxopentyl]amino]hexanoate],2,2,2-trifluoroacetate(1:2),
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