TL;DR: Jmv 170 (CAS 117829-60-4) is a chemical compound with molecular formula C51H68N8O14S and molecular weight 1048.4575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S)-4-amino-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]-(2-phenylethyl)amino]-4-oxobutanoyl] (2S)-2-[[(2S)-2-[[2-[[(2S)-2-aminohexanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoate
Also Known As: Jmv 170, [(2S)-4-amino-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]-(2-phenylethyl)amino]-4-oxobutanoyl] (2S)-2-[[(2S)-2-[[2-[[(2S)-2-aminohexanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoate, L-alpha-Asparagine, N2-(N-(N-(N-(N-(N-((1,1-dimethylethoxy)carbonyl)-O-sulfo-L-tyrosyl)-L-norleucyl)glycyl)-L-tryptophyl)-L-norleucyl)-N-(2-phenylethyl)-, [(2S)-4-amino-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]-phenethylamino]-4-oxobutanoyl] (2S)-2-[[(2S)-2-[[2-[[(2S)-2-aminohexanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoate
| Molecular Formula | C51H68N8O14S |
| Molecular Weight | 1048.4575 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 346.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 32 |
| Exact Mass | 1048.4575 Da |
| Heavy Atoms | 74 |
| Complexity | 1980.0 |
| SMILES | CCCC[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCC)C(=O)OC(=O)[C@H](CC(=O)N)N(CCC3=CC=CC=C3)C(=O)[C@H](CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)OC(C)(C)C)N |
| InChIKey | ODKSTGWIKITDEO-YEPYJVFPSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Jmv 170. The TPSA of 346.0 Ų indicates high polarity, suggesting Jmv 170 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Jmv 170 has 8 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Jmv 170 is 117829-60-4.
The molecular formula of Jmv 170 is C51H68N8O14S.
The molecular weight of Jmv 170 is 1048.4575 g/mol.
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