| CAS Number | 1140525-25-2 |
| Catalog Number | AG00924D(AGN-PC-0WAGCZ) |
| Chemical Name | N2-[2-(2,2-Diphenylethoxy)acetyl]-L-arginine trifluoroacetate salt |
| IUPAC Name | (2S)-5-(diaminomethylideneamino)-2-[[2-(2,2-diphenylethoxy)acetyl]amino]pentanoic acid;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C22H28N4O4.C2HF3O2/c23-22(24)25-13-7-12-19(21(28)29)26-20(27)15-30-14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17;3-2(4,5)1(6)7/h1-6,8-11,18-19H,7,12-15H2,(H,26,27)(H,28,29)(H4,23,24,25);(H,6,7)/t19-;/m0./s1 |
| InChI Key | ZJRMPPVJAQWGEG-FYZYNONXSA-N |
| MDL Number | MFCD04974198 |
| Molecular Formula | C24H29F3N4O6 |
| Molecular Weight | 526.5055 |
| SMILES | NC(NCCC[C@@H](C(O)=O)NC(COCC(C1=CC=CC=C1)C2=CC=CC=C2)=O)=N.OC(C(F)(F)F)=O |
| Synonyms | N2-((2,2-diphenylethoxy)acetyl)arginine,
SB 290157,
SB-290157,
SB290157,
SB 290157 trifluoroacetate salt,
SB 290157,
N2-[(2,2-Diphenylethoxy)acetyl]-L-arginine, TFA,
SB290157 (trifluoroacetate),
1140525-25-2,
SB290157 trifluoroacetate,
SB 290157 (trifluoroacetate salt),
CS-6852,
HY-101502A,
J-003050,
SB290157 trifluoroacetate salt, >=97% (HPLC),
|
| Complexity | 619 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 526.204g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 526.513g/mol |
| Monoisotopic Mass | 526.204g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 177A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number