TL;DR: L-Alaninamide, glycyl-N-(2-mercaptoethyl)-, 2,2'-disulfide bis(trifluoroacetate) (CAS 117370-27-1) is a chemical compound with molecular formula C18H30F6N6O8S2 and molecular weight 636.1471 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[(2-aminoacetyl)amino]-N-[2-[2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]ethyldisulfanyl]ethyl]propanamide;bis(2,2,2-trifluoroacetic acid)
Also Known As: L-Alaninamide, glycyl-N-(2-mercaptoethyl)-, 2,2'-disulfide bis(trifluoroacetate), Glycyl-N-(2-mercaptoethyl)-L-alaninamide (2,2')-disulfide bis(trifluoroacetate), (2S)-2-[(2-aminoacetyl)amino]-N-[2-[2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]ethyldisulanyl]ethyl]propanamide;2,2,2-triluoroacetic acid, (2S)-2-[(2-aminoacetyl)amino]-N-[2-[2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]ethyldisulfanyl]ethyl]propanamide; 2,2,2-trifluoroacetic acid, Trifluoroacetic acid--(2S,2'S)-N,N'-[disulfanediyldi(ethane-2,1-diyl)]bis[2-(2-aminoacetamido)propanamide] (2/1)
| Molecular Formula | C18H30F6N6O8S2 |
| Molecular Weight | 636.1471 g/mol |
| XLogP | -1.2064 |
| Topological Polar Surface Area (TPSA) | 294.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 13 |
| Exact Mass | 636.1471 Da |
| Heavy Atoms | 40 |
| Complexity | 522.0 |
| SMILES | C[C@@H](C(=O)NCCSSCCNC(=O)[C@H](C)NC(=O)CN)NC(=O)CN.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O |
| InChIKey | NQPOLYPHFJZQSO-BZDVOYDHSA-N |
The XLogP value of -1.2064 indicates that L-Alaninamide, glycyl-N-(2-mercaptoethyl)-, 2,2'-disulfide bis(trifluoroacetate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 294.0 Ų indicates high polarity, suggesting L-Alaninamide, glycyl-N-(2-mercaptoethyl)-, 2,2'-disulfide bis(trifluoroacetate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-Alaninamide, glycyl-N-(2-mercaptoethyl)-, 2,2'-disulfide bis(trifluoroacetate) has 8 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of L-Alaninamide, glycyl-N-(2-mercaptoethyl)-, 2,2'-disulfide bis(trifluoroacetate) is 117370-27-1.
The molecular formula of L-Alaninamide, glycyl-N-(2-mercaptoethyl)-, 2,2'-disulfide bis(trifluoroacetate) is C18H30F6N6O8S2.
The molecular weight of L-Alaninamide, glycyl-N-(2-mercaptoethyl)-, 2,2'-disulfide bis(trifluoroacetate) is 636.1471 g/mol.
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