Physicochemical Properties
| Molecular Formula | C48H73N11O17 |
| Molecular Weight | 1076.15673232079 |
| Exact Mass | 1075.518 |
| CAS # | 945830-38-6 |
| PubChem CID | 162678811 |
| Appearance | White to off-white solid powder |
| LogP | -4.5 |
| Hydrogen Bond Donor Count | 14 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 33 |
| Heavy Atom Count | 76 |
| Complexity | 2100 |
| Defined Atom Stereocenter Count | 10 |
| SMILES | C(N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](C(=O)O)CCC(=O)N)(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)C)CC1C=CC(O)=CC=1 |
| InChi Key | LQRUFPWSECMCHG-YBFBXAKBSA-N |
| InChi Code | InChI=1S/C48H73N11O17/c1-6-24(4)39(47(74)59-19-7-8-34(59)46(73)53-28(13-16-35(50)61)41(68)54-30(48(75)76)14-17-36(51)62)58-45(72)31(20-23(2)3)56-43(70)32(21-26-9-11-27(60)12-10-26)57-42(69)29(15-18-37(63)64)52-44(71)33(22-38(65)66)55-40(67)25(5)49/h9-12,23-25,28-34,39,60H,6-8,13-22,49H2,1-5H3,(H2,50,61)(H2,51,62)(H,52,71)(H,53,73)(H,54,68)(H,55,67)(H,56,70)(H,57,69)(H,58,72)(H,63,64)(H,65,66)(H,75,76)/t24-,25-,28-,29-,30-,31-,32-,33-,34-,39-/m0/s1 |
| Chemical Name | (2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
Solubility Data
| Solubility (In Vitro) | H2O: 50 mg/mL (46.46 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 25 mg/mL (23.23 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 0.9292 mL | 4.6461 mL | 9.2923 mL | |
| 5 mM | 0.1858 mL | 0.9292 mL | 1.8585 mL | |
| 10 mM | 0.0929 mL | 0.4646 mL | 0.9292 mL |