TL;DR: H-Tyrosyl-cyclo(cysteinyl-phenylalanyl-penicillaminyl)-OH (CAS 117550-12-6) is a chemical compound with molecular formula C26H34N4O6S2 and molecular weight 562.19196 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl] (2S)-2-amino-3-methyl-3-sulfanylbutanoate
Also Known As: DCFPE, Htdcpdp-OH, Jom 13, Tyr-c(D-cys-phe-D-pen)OH, H-Tyr-cyclo(cys-phe-pen)-OH
| Molecular Formula | C26H34N4O6S2 |
| Molecular Weight | 562.19196 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 176.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 562.19196 Da |
| Heavy Atoms | 38 |
| Complexity | 816.0 |
| SMILES | CC(C)([C@H](C(=O)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CS)NC(=O)[C@H](CC2=CC=C(C=C2)O)N)N)S |
| InChIKey | LINHQEFGHROEAQ-BURNTYAHSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for H-Tyrosyl-cyclo(cysteinyl-phenylalanyl-penicillaminyl)-OH. The TPSA of 176.0 Ų indicates high polarity, suggesting H-Tyrosyl-cyclo(cysteinyl-phenylalanyl-penicillaminyl)-OH may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, H-Tyrosyl-cyclo(cysteinyl-phenylalanyl-penicillaminyl)-OH has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of H-Tyrosyl-cyclo(cysteinyl-phenylalanyl-penicillaminyl)-OH is 117550-12-6.
The molecular formula of H-Tyrosyl-cyclo(cysteinyl-phenylalanyl-penicillaminyl)-OH is C26H34N4O6S2.
The molecular weight of H-Tyrosyl-cyclo(cysteinyl-phenylalanyl-penicillaminyl)-OH is 562.19196 g/mol.
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