TL;DR: Dnp-Pro-Leu-Gly-Leu-Trp-Ala-D-Arg-NH2 trifluoroacetate salt (CAS 121282-17-5) is a chemical compound with molecular formula C45H64N14O11 and molecular weight 976.4879 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[1-[[2-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]-1-(2,4-dinitrophenyl)pyrrolidine-2-carboxamide
Also Known As: SDP-3820-PI, Dnp-Pro-Leu-Gly-Leu-Trp-Ala-D-Arg-NH2, Dnp-Pro-Leu-Gly-Leu-Trp-Ala-D-Arg-NH2 trifluoroacetate salt, N-[1-[[2-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]-1-(2,4-dinitrophenyl)pyrrolidine-2-carboxamide, N-[1-[[2-[[1-[[2-[[2-[(1-carbamoyl-4-guanidino-butyl)amino]-1-methyl-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]-1-(2,4-dinitrophenyl)pyrrolidine-2-carboxamide
| Molecular Formula | C45H64N14O11 |
| Molecular Weight | 976.4879 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 393.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 24 |
| Exact Mass | 976.4879 Da |
| Heavy Atoms | 70 |
| Complexity | 1890.0 |
| SMILES | CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C3CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HLOQKQUWJHEVPU-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dnp-Pro-Leu-Gly-Leu-Trp-Ala-D-Arg-NH2 trifluoroacetate salt. The TPSA of 393.0 Ų indicates high polarity, suggesting Dnp-Pro-Leu-Gly-Leu-Trp-Ala-D-Arg-NH2 trifluoroacetate salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dnp-Pro-Leu-Gly-Leu-Trp-Ala-D-Arg-NH2 trifluoroacetate salt has 10 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Dnp-Pro-Leu-Gly-Leu-Trp-Ala-D-Arg-NH2 trifluoroacetate salt is 121282-17-5.
The molecular formula of Dnp-Pro-Leu-Gly-Leu-Trp-Ala-D-Arg-NH2 trifluoroacetate salt is C45H64N14O11.
The molecular weight of Dnp-Pro-Leu-Gly-Leu-Trp-Ala-D-Arg-NH2 trifluoroacetate salt is 976.4879 g/mol.
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