| SpectraBase Compound ID | 5XIenhKQUoC |
|---|---|
| InChI | InChI=1S/C68H114N8O11S3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-26-42-89-48-56(72-60(78)46-69-59(77)35-24-23-25-40-76-62(80)36-37-63(76)81)65(83)73-54(39-43-88-9)64(82)70-47-61(79)71-55(45-51(4)5)67(85)75-41-29-34-58(75)66(84)74-57(68(86)87-8)49-90-44-38-53(7)33-28-32-52(6)31-27-30-50(2)3/h30,32,36-38,51,54-58H,10-29,31,33-35,39-49H2,1-9H3,(H,69,77)(H,70,82)(H,71,79)(H,72,78)(H,73,83)(H,74,84)/b52-32+,53-38+/t54-,55-,56+,57+,58+/m1/s1 |
| InChIKey | UUKNHHMLJGXRDV-OTGWZYINSA-N |
| Mol Weight | 1315.9 g/mol |
| Molecular Formula | C68H114N8O11S3 |
| Exact Mass | 1314.77692 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1bYWwwy3Mu4 |
|---|---|
| Name | N-(6-MALEIMIDOCAPROYL)-GLYCYL-S-HEXADECYL-L-CYSTEYL-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-FARNESYL-L-CYSTEINE-METHYLESTER |
| Compound Number | 44C |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H114N8O11S3 |
| InChI | InChI=1S/C68H114N8O11S3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-26-42-89-48-56(72-60(78)46-69-59(77)35-24-23-25-40-76-62(80)36-37-63(76)81)65(83)73-54(39-43-88-9)64(82)70-47-61(79)71-55(45-51(4)5)67(85)75-41-29-34-58(75)66(84)74-57(68(86)87-8)49-90-44-38-53(7)33-28-32-52(6)31-27-30-50(2)3/h30,32,36-38,51,54-58H,10-29,31,33-35,39-49H2,1-9H3,(H,69,77)(H,70,82)(H,71,79)(H,72,78)(H,73,83)(H,74,84)/b52-32+,53-38+/t54-,55-,56+,57+,58+/m1/s1 |
| InChIKey | UUKNHHMLJGXRDV-OTGWZYINSA-N |
| Literature Reference Author | K.KUHN,D.J.OWEN,B.BADER,A.WITTINGHOFER,J.KUHLMANN,H.WALDMANN |
| Literature Reference Citation | J.AM.CHEM.SOC.,123,1023(2001) |
| Literature Reference DOI | 10.1021/ja002723o |
| Molecular Weight | 1315.880 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI23432 |