| SpectraBase Compound ID | Jr9ycRAyzBU |
|---|---|
| InChI | InChI=1S/C76H121N9O13S3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-28-46-100-53-63(81-67(87)50-78-66(86)39-24-23-27-44-85-69(89)40-41-70(85)90)72(92)82-61(43-47-99-9)71(91)79-51-68(88)80-62(49-55(2)3)74(94)84-45-31-38-65(84)73(93)83-64(76(96)97-8)54-101-48-42-57(5)34-29-32-56(4)33-30-35-58(6)52-98-75(95)59-36-25-26-37-60(59)77-7/h25-26,32,35-37,40-42,55,61-65,77H,10-24,27-31,33-34,38-39,43-54H2,1-9H3,(H,78,86)(H,79,91)(H,80,88)(H,81,87)(H,82,92)(H,83,93)/b56-32+,57-42+,58-35+/t61-,62+,63+,64-,65+/m1/s1 |
| InChIKey | WNDIHQHSBJQQSP-FGNXJWIWSA-N |
| Mol Weight | 1465.0 g/mol |
| Molecular Formula | C76H121N9O13S3 |
| Exact Mass | 1463.824599 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 61cwmvb8zq5 |
|---|---|
| Name | #44B;N-(6-MALEIMIDOCAPROYL)-GLYCYL-S-HEXADECYL-L-CYSTEYL-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-[(E,E)-8-O-(2-N-METHYL-AMINOBENZOYL)-3,7,11-TRIMETHYL-2,6,10-DOD |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C76H121N9O13S3 |
| InChI | InChI=1S/C76H121N9O13S3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-28-46-100-53-63(81-67(87)50-78-66(86)39-24-23-27-44-85-69(89)40-41-70(85)90)72(92)82-61(43-47-99-9)71(91)79-51-68(88)80-62(49-55(2)3)74(94)84-45-31-38-65(84)73(93)83-64(76(96)97-8)54-101-48-42-57(5)34-29-32-56(4)33-30-35-58(6)52-98-75(95)59-36-25-26-37-60(59)77-7/h25-26,32,35-37,40-42,55,61-65,77H,10-24,27-31,33-34,38-39,43-54H2,1-9H3,(H,78,86)(H,79,91)(H,80,88)(H,81,87)(H,82,92)(H,83,93)/b56-32+,57-42+,58-35+/t61-,62+,63+,64-,65+/m1/s1 |
| InChIKey | WNDIHQHSBJQQSP-FGNXJWIWSA-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 | 1465.029 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI23433 |