Threonyl-(2,6-diamino-4-hexynoate)proline
(2S)-1-[(2R)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hex-4-ynoyl]pyrrolidine-2-carboxylic acid
Also Known As: Thr-dah-pro|KST-1B9534|Threonyl-2,6-diamino-4-hexynoate proline|Threonyl-(2,6-diamino-4-hexynoate)proline|1-[(2r)-6-amino-2-(l-threonylamino)hex-4-ynoyl]-l-proline|L-Proline, 1-(4,4,5,5-tetradehydro-N2-L-threonyl-L-lysyl)-, (11beta,17alpha)-|1-{6-Amino-2-[(2-amino-1,3-dihydroxybutylidene)amino]hex-4-ynoyl}proline|(2S)-1-[(2R)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hex-4-ynoyl]pyrrolidine-2-carboxylic acid|1-[(2R)-6-Amino-2-{[(2S,3R)-2-amino-1,3-dihydroxybutylidene]amino}hex-4-ynoyl]-L-proline
| Molecular Formula | C15H24N4O5 |
|---|---|
| Molecular Weight | 340.17468 g/mol |
| LogP | -5.6 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.17468 |
| Monoisotopic Mass | 340.17468 |
| Heavy Atoms | 24 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 987-18-8 |
|---|---|
| SMILES | C[C@H]([C@@H](C(=O)N[C@H](CC#CCN)C(=O)N1CCC[C@H]1C(=O)O)N)O |
| InChIKey | ANXYVYKBGQLINJ-WYUUTHIRSA-N |
Product Overview
Threonyl-(2,6-diamino-4-hexynoate)proline (CAS 987-18-8), with molecular formula C15H24N4O5 and molecular weight 340.17468 g/mol. IUPAC: (2S)-1-[(2R)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hex-4-ynoyl]pyrrolidine-2-carboxylic acid.