TL;DR: HS-leucyl-phenylalanyl-alaninamide (CAS 120021-39-8) is a chemical compound with molecular formula C19H29N3O3S and molecular weight 379.19296 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-(sulfanylmethyl)pentanamide
Also Known As: HS-Leu-phe-ala-NH2, HS-Leucyl-phenylalanyl-alaninamide, (2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-(sulfanylmethyl)pentanamide, (S)-N-(2-(Mercaptomethyl)-4-methyl-1-oxopentyl)-L-phenylalanyl-L-alaninamide, (3R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
| Molecular Formula | C19H29N3O3S |
| Molecular Weight | 379.19296 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 379.19296 Da |
| Heavy Atoms | 26 |
| Complexity | 479.0 |
| SMILES | C[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)CS |
| InChIKey | LWDXOPIGTGCEOA-IMJJTQAJSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for HS-leucyl-phenylalanyl-alaninamide. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for HS-leucyl-phenylalanyl-alaninamide. Following Lipinski's Rule of Five, HS-leucyl-phenylalanyl-alaninamide has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of HS-leucyl-phenylalanyl-alaninamide is 120021-39-8.
The molecular formula of HS-leucyl-phenylalanyl-alaninamide is C19H29N3O3S.
The molecular weight of HS-leucyl-phenylalanyl-alaninamide is 379.19296 g/mol.
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