| CAS Number | 209248-71-5 |
| Catalog Number | AG01EOGJ(AGN-PC-3H46D9) |
| Chemical Name | Diprotin A (TFA) |
| IUPAC Name | (2S,3S)-2-[[(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C17H31N3O4.C2HF3O2/c1-5-10(3)13(18)16(22)20-9-7-8-12(20)15(21)19-14(17(23)24)11(4)6-2;3-2(4,5)1(6)7/h10-14H,5-9,18H2,1-4H3,(H,19,21)(H,23,24);(H,6,7)/t10-,11-,12-,13-,14-;/m0./s1 |
| InChI Key | KAUYVJOUHGUZNN-BABXMESMSA-N |
| MDL Number | MFCD00270878 |
| Molecular Formula | C19H32F3N3O6 |
| Molecular Weight | 455.4691 |
| SMILES | C(O)(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@@H](C)CC)N.OC(=O)C(F)(F)F |
| Synonyms | Diprotin A (TFA),
209248-71-5,
Diprotin A TFA,
HY-111174A,
CS-0077835,
Diprotin A TFA (Synonyms: Ile-Pro-Pro (TFA)),
|
| Complexity | 552 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 455.224g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 455.475g/mol |
| Monoisotopic Mass | 455.224g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 150A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number