TL;DR: L-Valinamide, N(sup 2)-(((2-chloroethyl)nitrosoamino)carbonyl)-N(sup 6)-formyl-L-lysyl-L-prolyl- (CAS 106039-84-3) is a chemical compound with molecular formula C20H34ClN7O6 and molecular weight 503.22592 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-[(2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-6-formamidohexanoyl]pyrrolidine-2-carboxamide
Also Known As: L-Valinamide, N(sup 2)-(((2-chloroethyl)nitrosoamino)carbonyl)-N(sup 6)-formyl-L-lysyl-L-prolyl-, N(sup 2)-(((2-Chloroethyl)nitrosoamino)carbonyl)-N(sup 6)-formyl-L-lysyl-L-prolyl-L-valinamide, N~2~-[(2-Chloroethyl)(nitroso)carbamoyl]-N~6~-formyl-L-lysyl-L-prolyl-L-valinamide, (2S)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-[(2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-6-formamidohexanoyl]pyrrolidine-2-carboxamide, BRN 6256149
| Molecular Formula | C20H34ClN7O6 |
| Molecular Weight | 503.22592 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 183.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 503.22592 Da |
| Heavy Atoms | 34 |
| Complexity | 738.0 |
| SMILES | CC(C)[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC=O)NC(=O)N(CCCl)N=O |
| InChIKey | ILDQFGBFCPVRIF-JYJNAYRXSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Valinamide, N(sup 2)-(((2-chloroethyl)nitrosoamino)carbonyl)-N(sup 6)-formyl-L-lysyl-L-prolyl-. The TPSA of 183.0 Ų indicates high polarity, suggesting L-Valinamide, N(sup 2)-(((2-chloroethyl)nitrosoamino)carbonyl)-N(sup 6)-formyl-L-lysyl-L-prolyl- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-Valinamide, N(sup 2)-(((2-chloroethyl)nitrosoamino)carbonyl)-N(sup 6)-formyl-L-lysyl-L-prolyl- has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of L-Valinamide, N(sup 2)-(((2-chloroethyl)nitrosoamino)carbonyl)-N(sup 6)-formyl-L-lysyl-L-prolyl- is 106039-84-3.
The molecular formula of L-Valinamide, N(sup 2)-(((2-chloroethyl)nitrosoamino)carbonyl)-N(sup 6)-formyl-L-lysyl-L-prolyl- is C20H34ClN7O6.
The molecular weight of L-Valinamide, N(sup 2)-(((2-chloroethyl)nitrosoamino)carbonyl)-N(sup 6)-formyl-L-lysyl-L-prolyl- is 503.22592 g/mol.
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