BZ-ILE-GLU-GLY-ARG-PNA CAS#: 59068-47-2; 凯望编码 (ChemWhat Code): 891440
Identification
| 英文名 | BZ-ILE-GLU-GLY-ARG-PNA CAS#: 59068-47-2 |
| IUPAC Name | (4S)-4-[[(2S,3S)-2-benzamido-3-methylpentanoyl]amino]-5-[[2-[[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid |
| 分子结构 |  |
| CAS编号 | 59068-47-2 |
| EINECS Number | No data available |
| MDL Number | MFCD03490518 |
| Beilstein Registry Number | No data available |
| 别名 | Bz-Ile-Glu-Gly-Arg-pNA |
| 分子式 | C32H43N9O9 |
| 分子量 | 697.750 |
| InChI | InChI=1S/C32H43N9O9/c1-3-19(2)27(40-28(45)20-8-5-4-6-9-20)31(48)39-24(15-16-26(43)44)29(46)36-18-25(42)38-23(10-7-17-35-32(33)34)30(47)37-21-11-13-22(14-12-21)41(49)50/h4-6,8-9,11-14,19,23-24,27H,3,7,10,15-18H2,1-2H3,(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,40,45)(H,43,44)(H4,33,34,35)/t19-,23-,24-,27-/m0/s1 |
| InChI Key | ZYECEUZMVSGTMR-LBDWYMBGSA-N |
| Canonical SMILES | CCC@HC@HC(=O)NC@@HC(=O)NCC(=O)NC@@HC(=O)Nc1ccc(N+[O-])cc1 |
| Patent Information |
| No data available |
Physical Data
| Appearance | White powder |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
Spectra
| No data available |
Route of Synthesis (ROS)
| No data available |
Safety and Hazards
| GHS Hazard Statements | Not Classified |
Other Data
| Transportation | NONH for all modes of transport |
| Store at -20°C for a long time | |
| HS Code | No data available |
| Storage | Store at -20°C for a long time |
| Shelf Life | 1 year |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| 分子量 | 697.748 |
| logP | 1.75 |
| HBA | 15 |
| HBD | 9 |
| Matching Lipinski Rules | 1 |
| Veber rules component | |
| Polar Surface Area (PSA) | 290.52 |
| Rotatable Bond (RotB) | 26 |
| Matching Veber Rules | 2 |
| Use Pattern |
| BZ-ILE-GLU-GLY-ARG-PNA CAS#: 59068-47-2 is suitable for various scenarios such as coagulation factor detection, heparin sodium determination and enzyme activity analysis. |
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