![methyl 4-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-3-methyl-1-(4-nitroanilino)-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoate (CAS: 70967-90-7) - Chemical Structure and Molecular Formula](/static/img/prod_pic/FT-0771037.png "methyl 4-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-3-methyl-1-(4-nitroanilino)-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoate chemical structure")
methyl 4-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-3-methyl-1-(4-nitroanilino)-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoate
Catalog No: FT-0771037
CAS No: 70967-90-7
- Chemical Name: methyl 4-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-3-methyl-1-(4-nitroanilino)-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoate
- Molecular Formula: C27H38N6O9
- Molecular Weight: 590.6
- InChI Key: VLVGCNNWNUERRZ-OSAZLGQLSA-N
- InChI: InChI=1S/C27H38N6O9/c1-15(2)23(26(38)30-18-8-10-19(11-9-18)33(40)41)31-25(37)20-7-6-14-32(20)27(39)17(4)29-24(36)16(3)28-21(34)12-13-22(35)42-5/h8-11,15-17,20,23H,6-7,12-14H2,1-5H3,(H,28,34)(H,29,36)(H,30,38)(H,31,37)/t16-,17-,20-,23-/m0/s1
| Assay | Pack Size | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Bolling_Point: | 908.4ºC at 760 mmHg |
|---|---|
| CAS: | 70967-90-7 |
| MF: | C27H38N6O9 |
| Density: | 1.297g/cm3 |
| Melting_Point: | N/A |
| Product_Name: | N-methoxysuccinyl-Ala-Ala-Pro-Val-p-nitroanilide |
| Flash_Point: | 503.2ºC |
| FW: | 590.62500 |
| MF: | C27H38N6O9 |
|---|---|
| Density: | 1.297g/cm3 |
| Computational_Chemistry: | ['1 . XlogP 15 ', '2 . Hydrogen Bond Donor Count 4 ', '3 . Hydrogen Bond Acceptor Count 10 ', '4 . Rotatable Bond Count 13 ', '5 . TPSA 206 ', '6 . Heavy Atom Count 42 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 1020 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 4 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1'] |
| More_Info: | ['1 . Appearance 。 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 。'] |
| Exact_Mass: | 590.27000 |
| Flash_Point: | 503.2ºC |
| PSA: | 208.83000 |
| Molecular_Structure: | ['1 . Molar refractive index 14886 ', '2 . Molar volume （m3/mol）4553 ', '3 . Parachor （902K）12532 ', '4 . Surface tension 573 ', '5 . Polarizability 5901'] |
| LogP: | 2.33450 |
| Bolling_Point: | 908.4ºC at 760 mmHg |
| FW: | 590.62500 |
| Refractive_Index: | 1.567 |
| Personal_Protective_Equipment: | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| RIDADR: | NONH for all modes of transport |
| Safety_Statements: | S22-S24/25 |
