TL;DR: Salmon calcitonin (1-10), t-butylated (CAS 139555-60-5) is a chemical compound with molecular formula C56H99N11O17S2 and molecular weight 1261.6661 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl (2S,4S)-4-[[(2S)-4-amino-2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-4-oxobutanoyl]amino]-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-3-methylbut-3-enoyl]amino]-4-methyl-3,5-bis(sulfanyl)pentanoyl]-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-6-methyl-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-3-oxoheptanoate
Also Known As: Salmon calcitonin (1-10), t-butylated, Boc-cyclo(cys-ser(tbu)-asn-leu-ser(tbu)-thr(tbu)-cys)-val-leu-gly-OH, t-Butyloxycarbonyl-cyclo(cysteinyl-t-butylseryl-asparaginyl-leucyl-t-butylseryl-t-butylthreonyl-cysteinyl)-valyl-leucyl-glycine, tert-butyl (2S,4S)-4-[[(2S)-4-amino-2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-4-oxobutanoyl]amino]-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-3-methylbut-3-enoyl]amino]-4-methyl-3,5-bis(sulfanyl)pentanoyl]-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-6-methyl-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-3-oxoheptanoate
| Molecular Formula | C56H99N11O17S2 |
| Molecular Weight | 1261.6661 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 443.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 38 |
| Exact Mass | 1261.6661 Da |
| Heavy Atoms | 86 |
| Complexity | 2460.0 |
| SMILES | C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C(=C)C)C(=O)N[C@@H](C(C(C)CS)S)C(=O)N(C(=O)[C@H](COC(C)(C)C)N)[C@@](C(=O)[C@H](C)NC(=O)OC(C)(C)C)(C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](COC(C)(C)C)N)C(=O)OC(C)(C)C)N)O |
| InChIKey | HYTOPKJUBZLFCJ-IFRSZQCCSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Salmon calcitonin (1-10), t-butylated. The TPSA of 443.0 Ų indicates high polarity, suggesting Salmon calcitonin (1-10), t-butylated may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Salmon calcitonin (1-10), t-butylated has 13 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Salmon calcitonin (1-10), t-butylated is 139555-60-5.
The molecular formula of Salmon calcitonin (1-10), t-butylated is C56H99N11O17S2.
The molecular weight of Salmon calcitonin (1-10), t-butylated is 1261.6661 g/mol.
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