| SpectraBase Compound ID | I1b67XcG0SS |
|---|---|
| InChI | InChI=1S/C53H90N8O12S2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-31-75-37-42(57-45(64)34-54-44(63)25-20-19-21-29-61-47(66)26-27-48(61)67)50(69)58-39(28-32-74-5)49(68)55-35-46(65)56-40(33-38(2)3)52(71)60-30-23-24-43(60)51(70)59-41(36-62)53(72)73-4/h26-27,38-43,62H,6-25,28-37H2,1-5H3,(H,54,63)(H,55,68)(H,56,65)(H,57,64)(H,58,69)(H,59,70)/t39-,40+,41-,42-,43+/m1/s1 |
| InChIKey | HKOJCNMCUBJTHD-CVHRFUHHSA-N |
| Mol Weight | 1095.5 g/mol |
| Molecular Formula | C53H90N8O12S2 |
| Exact Mass | 1094.611963 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IL1YXdOB9dD |
|---|---|
| Name | N-(6-MALEIMIDOCAPROYL)-GLYCYL-S-HEXADECYL-L-CYSTEYL-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-L-SERINE-METHYLESTER |
| Compound Number | 65 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H90N8O12S2 |
| InChI | InChI=1S/C53H90N8O12S2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-31-75-37-42(57-45(64)34-54-44(63)25-20-19-21-29-61-47(66)26-27-48(61)67)50(69)58-39(28-32-74-5)49(68)55-35-46(65)56-40(33-38(2)3)52(71)60-30-23-24-43(60)51(70)59-41(36-62)53(72)73-4/h26-27,38-43,62H,6-25,28-37H2,1-5H3,(H,54,63)(H,55,68)(H,56,65)(H,57,64)(H,58,69)(H,59,70)/t39-,40+,41-,42-,43+/m1/s1 |
| InChIKey | HKOJCNMCUBJTHD-CVHRFUHHSA-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 | 1095.464 g/mol |
| Solvent | CDCl3:CD3OD=1:1 |
| Source File Reference | UWSI23456 |