| SpectraBase Compound ID | IE8qrbPc5hd |
|---|---|
| InChI | InChI=1S/C69H120N8O12S3/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-36-46-91-51-57(69(88)89-5)75-67(86)58-38-37-45-76(58)68(87)55(48-53(3)4)72-61(80)50-71-65(84)54(43-47-90-6)74-66(85)56(52-92-64(83)40-34-30-28-26-24-22-20-18-16-14-12-10-8-2)73-60(79)49-70-59(78)39-33-32-35-44-77-62(81)41-42-63(77)82/h41-42,53-58H,7-40,43-52H2,1-6H3,(H,70,78)(H,71,84)(H,72,80)(H,73,79)(H,74,85)(H,75,86)/t54-,55+,56-,57+,58+/m1/s1 |
| InChIKey | SIFRNQLHRDLKML-QWCUXZPCSA-N |
| Mol Weight | 1349.9 g/mol |
| Molecular Formula | C69H120N8O12S3 |
| Exact Mass | 1348.818785 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3nhGpy5UyHv |
|---|---|
| Name | N-(6-MALEIMIDOCAPROYL)-GLYCYL-S-PALMITOYL-L-CYSTEYL-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-HEXADECYL-L-CYSTEINE-METHYLESTER |
| Compound Number | 56 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C69H120N8O12S3 |
| InChI | InChI=1S/C69H120N8O12S3/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-36-46-91-51-57(69(88)89-5)75-67(86)58-38-37-45-76(58)68(87)55(48-53(3)4)72-61(80)50-71-65(84)54(43-47-90-6)74-66(85)56(52-92-64(83)40-34-30-28-26-24-22-20-18-16-14-12-10-8-2)73-60(79)49-70-59(78)39-33-32-35-44-77-62(81)41-42-63(77)82/h41-42,53-58H,7-40,43-52H2,1-6H3,(H,70,78)(H,71,84)(H,72,80)(H,73,79)(H,74,85)(H,75,86)/t54-,55+,56-,57+,58+/m1/s1 |
| InChIKey | SIFRNQLHRDLKML-QWCUXZPCSA-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 | 1349.938 g/mol |
| Solvent | CDCl3:CD3OD=1:1 |
| Source File Reference | UWSI23445 |