![[2-(<R>-2'-Oxo-4'-phenylazetidin-1'-yl)acetyl]-L-valyl-L-prolyl-L-alanine - benzyl ester](/api/spectrum/9RdNExF4tTn/structure.png?h=300&w=458 "[2-(<R>-2'-Oxo-4'-phenylazetidin-1'-yl)acetyl]-L-valyl-L-prolyl-L-alanine - benzyl ester")
| SpectraBase Compound ID | 6BfH1VTh1gV |
|---|---|
| InChI | InChI=1S/C31H38N4O6/c1-20(2)28(33-26(36)18-35-25(17-27(35)37)23-13-8-5-9-14-23)30(39)34-16-10-15-24(34)29(38)32-21(3)31(40)41-19-22-11-6-4-7-12-22/h4-9,11-14,20-21,24-25,28H,10,15-19H2,1-3H3,(H,32,38)(H,33,36)/t21-,24-,25+,28-/m0/s1 |
| InChIKey | NRJDPBHQOAOZJQ-WVZMWUMTSA-N |
| Mol Weight | 562.7 g/mol |
| Molecular Formula | C31H38N4O6 |
| Exact Mass | 562.279135 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9RdNExF4tTn |
|---|---|
| Name | [2-( |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H38N4O6 |
| InChI | InChI=1S/C31H38N4O6/c1-20(2)28(33-26(36)18-35-25(17-27(35)37)23-13-8-5-9-14-23)30(39)34-16-10-15-24(34)29(38)32-21(3)31(40)41-19-22-11-6-4-7-12-22/h4-9,11-14,20-21,24-25,28H,10,15-19H2,1-3H3,(H,32,38)(H,33,36)/t21-,24-,25+,28-/m0/s1 |
| InChIKey | NRJDPBHQOAOZJQ-WVZMWUMTSA-N |
| Molecular Weight | 562.667 g/mol |
| SMILES | N([C@](C(N1[C@](C(N[C@](C(OCc2ccccc2)=O)(C)[H])=O)(CCC1)[H])=O)(C(C)C)[H])C(CN1C(=O)C[C@@]1(c1ccccc1)[H])=O |
| SPLASH | splash10-00kf-9550000000-d42085e97c6befbda16d |
| Source of Spectrum | D8-333-250-31 |
| Wiley ID | 1516853 |