![[S-(R*,R*)2-[[2-(1-carboxy-2-methylbutylcarbamoyl)phenyldisulfanyl]-benzoyl]-amino]-3-methylpentanoic acid](/api/spectrum/GCLXrTB3M4q/structure.png?h=300&w=458 "[S-(R*,R*)2-[[2-(1-carboxy-2-methylbutylcarbamoyl)phenyldisulfanyl]-benzoyl]-amino]-3-methylpentanoic acid")
| SpectraBase Compound ID | HdX2jI2JZEu |
|---|---|
| InChI | InChI=1S/C26H32N2O6S2/c1-5-15(3)21(25(31)32)27-23(29)17-11-7-9-13-19(17)35-36-20-14-10-8-12-18(20)24(30)28-22(26(33)34)16(4)6-2/h7-16,21-22H,5-6H2,1-4H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/t15-,16?,21+,22-/m1/s1 |
| InChIKey | SUQDXZBTWJQATJ-PTSAVFMGSA-N |
| Mol Weight | 532.7 g/mol |
| Molecular Formula | C26H32N2O6S2 |
| Exact Mass | 532.170179 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GCLXrTB3M4q |
|---|---|
| Name | [S-(R*,R*)2-[[2-(1-carboxy-2-methylbutylcarbamoyl)phenyldisulfanyl]-benzoyl]-amino]-3-methylpentanoic acid |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H32N2O6S2 |
| InChI | InChI=1S/C26H32N2O6S2/c1-5-15(3)21(25(31)32)27-23(29)17-11-7-9-13-19(17)35-36-20-14-10-8-12-18(20)24(30)28-22(26(33)34)16(4)6-2/h7-16,21-22H,5-6H2,1-4H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/t15-,16?,21+,22-/m1/s1 |
| InChIKey | SUQDXZBTWJQATJ-PTSAVFMGSA-N |
| Molecular Weight | 532.670 g/mol |
| SMILES | N(C(c1c(SSc2c(C(N[C@](C(=O)O)([C@@](CC)(C)[H])[H])=O)cccc2)cccc1)=O)[C@@](C(=O)O)(C(CC)C)[H] |
| SPLASH | splash10-014i-0090000000-41f17b085188d5f248a1 |
| Source of Spectrum | G2-5-578-4t |
| Wiley ID | 1705343 |