![[2-(<S>-2'-Oxo-4'-phenylazetidin-1'-yl)acetyl]-L-valyl-L-prolyl-L-alanine - 2",2",2"-trichloroethyl ester](/api/spectrum/54AAzvaBmkn/structure.png?h=300&w=458 "[2-(<S>-2'-Oxo-4'-phenylazetidin-1'-yl)acetyl]-L-valyl-L-prolyl-L-alanine - 2\",2\",2\"-trichloroethyl ester")
| SpectraBase Compound ID | DDkbCGLlZW8 |
|---|---|
| InChI | InChI=1S/C26H33Cl3N4O6/c1-15(2)22(31-20(34)13-33-19(12-21(33)35)17-8-5-4-6-9-17)24(37)32-11-7-10-18(32)23(36)30-16(3)25(38)39-14-26(27,28)29/h4-6,8-9,15-16,18-19,22H,7,10-14H2,1-3H3,(H,30,36)(H,31,34)/t16-,18-,19-,22-/m0/s1 |
| InChIKey | VSOAVGUYUWQWBJ-FUOQNJDISA-N |
| Mol Weight | 603.9 g/mol |
| Molecular Formula | C26H33Cl3N4O6 |
| Exact Mass | 602.146568 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 54AAzvaBmkn |
|---|---|
| Name | [2-( |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H33Cl3N4O6 |
| InChI | InChI=1S/C26H33Cl3N4O6/c1-15(2)22(31-20(34)13-33-19(12-21(33)35)17-8-5-4-6-9-17)24(37)32-11-7-10-18(32)23(36)30-16(3)25(38)39-14-26(27,28)29/h4-6,8-9,15-16,18-19,22H,7,10-14H2,1-3H3,(H,30,36)(H,31,34)/t16-,18-,19-,22-/m0/s1 |
| InChIKey | VSOAVGUYUWQWBJ-FUOQNJDISA-N |
| Molecular Weight | 603.931 g/mol |
| SMILES | N([C@](C(N1[C@](C(N[C@](C(OCC(Cl)(Cl)Cl)=O)(C)[H])=O)(CCC1)[H])=O)(C(C)C)[H])C(CN1C(=O)C[C@]1(c1ccccc1)[H])=O |
| SPLASH | splash10-00xr-7190000000-85ec3f4b5d46cf023ee5 |
| Source of Spectrum | D8-333-251-33 |
| Wiley ID | 1516852 |