TL;DR: 1ody (CAS 153314-49-9) is a chemical compound with molecular formula C45H58N6O7 and molecular weight 794.4367 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-naphthalen-1-ylpropanoyl]amino]-3-methylbutanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-3-hydroxy-6-methylheptanamide
Also Known As: 1ody, 2fmb, 4fiv, LP 130, 4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE
| Molecular Formula | C45H58N6O7 |
| Molecular Weight | 794.4367 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 209.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 20 |
| Exact Mass | 794.4367 Da |
| Heavy Atoms | 58 |
| Complexity | 1390.0 |
| SMILES | CC[C@@H](C(=O)N[C@@H](CC1=CC=CC2=CC=CC=C21)C(=O)N)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=CC4=CC=CC=C43)NC(=O)C)O |
| InChIKey | ACPDNLLISIAERE-ZYWZKTPASA-N |
The XLogP value of 5.7 indicates that 1ody is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 209.0 Ų indicates high polarity, suggesting 1ody may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1ody has 7 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1ody is 153314-49-9.
The molecular formula of 1ody is C45H58N6O7.
The molecular weight of 1ody is 794.4367 g/mol.
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