TL;DR: Glyceraldehyde 3-phosphate dehydrogenase (304-313) (CAS 130349-12-1) is a chemical compound with molecular formula C57H89N13O13S and molecular weight 1195.6423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Also Known As: Ace inhibitor BG-2, Gly-lys-met-val-lys-val-val-ser-trp-tyr, Glyceraldehyde 3-phosphate dehydrogenase (304-313), (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid, L-Tyrosine, N-(N-(N-(N-(N-(N2-(N-(N-(N2-glycyl-L-lysyl)-L-methionyl)-L-valyl)-L-lysyl)-L-valyl)-L-valyl)-L-seryl)-L-tryptophyl)-
| Molecular Formula | C57H89N13O13S |
| Molecular Weight | 1195.6423 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 459.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 38 |
| Exact Mass | 1195.6423 Da |
| Heavy Atoms | 84 |
| Complexity | 2140.0 |
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](CCCCN)NC(=O)CN |
| InChIKey | MGYNMUZMHGMZTN-FCHOXZRBSA-N |
The XLogP value of -0.7 indicates that Glyceraldehyde 3-phosphate dehydrogenase (304-313) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 459.0 Ų indicates high polarity, suggesting Glyceraldehyde 3-phosphate dehydrogenase (304-313) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glyceraldehyde 3-phosphate dehydrogenase (304-313) has 16 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Glyceraldehyde 3-phosphate dehydrogenase (304-313) is 130349-12-1.
The molecular formula of Glyceraldehyde 3-phosphate dehydrogenase (304-313) is C57H89N13O13S.
The molecular weight of Glyceraldehyde 3-phosphate dehydrogenase (304-313) is 1195.6423 g/mol.
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