TL;DR: delta-Ava-Pro(9)-substance P (7-11) (CAS 136912-73-7) is a chemical compound with molecular formula C39H56N6O7S and molecular weight 752.3931 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(2S)-2-[[(2R)-1-[(2S)-2-[[(2S)-2-(5-aminopentanoylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid
Also Known As: delta-Ava-pro(9)-substance P (7-11), GR 51667, Substance P (7-11), delta-ava-pro(9)-, Substance P (7-11). delta-aminovalyl-pro(9)-, (2S)-2-[[(2S)-2-[[(2R)-1-[(2S)-2-[[(2S)-2-(5-aminopentanoylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid
| Molecular Formula | C39H56N6O7S |
| Molecular Weight | 752.3931 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 225.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 22 |
| Exact Mass | 752.3931 Da |
| Heavy Atoms | 53 |
| Complexity | 1190.0 |
| SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CCCCN |
| InChIKey | ZQAKFOMGNRXPNB-PMUGGPHNSA-N |
The XLogP value of -0.1 indicates that delta-Ava-Pro(9)-substance P (7-11) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 225.0 Ų indicates high polarity, suggesting delta-Ava-Pro(9)-substance P (7-11) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, delta-Ava-Pro(9)-substance P (7-11) has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of delta-Ava-Pro(9)-substance P (7-11) is 136912-73-7.
The molecular formula of delta-Ava-Pro(9)-substance P (7-11) is C39H56N6O7S.
The molecular weight of delta-Ava-Pro(9)-substance P (7-11) is 752.3931 g/mol.
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