| SpectraBase Compound ID | DZ2ToTuYEHZ |
|---|---|
| InChI | InChI=1S/C64H117N7O11S3/c1-10-12-14-16-18-20-22-24-26-28-30-32-34-36-42-84-47-53(62(79)81-8)70-60(77)54-38-37-41-71(54)61(78)51(44-49(3)4)67-55(72)45-65-58(75)50(40-43-83-9)69-59(76)52(68-56(73)46-66-63(80)82-64(5,6)7)48-85-57(74)39-35-33-31-29-27-25-23-21-19-17-15-13-11-2/h49-54H,10-48H2,1-9H3,(H,65,75)(H,66,80)(H,67,72)(H,68,73)(H,69,76)(H,70,77)/t50-,51+,52-,53+,54+/m1/s1 |
| InChIKey | WYSZDUMJNUNAPI-IPFTUNBJSA-N |
| Mol Weight | 1256.9 g/mol |
| Molecular Formula | C64H117N7O11S3 |
| Exact Mass | 1255.797321 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Avj1ZxN7zVa |
|---|---|
| Name | N-TERT.-BUTYLOXYCARBONYLGLYCYL-S-PALMITOYL-L-CYSTEYL-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-HEXADECYL-L-CYSTEINE-METHYLESTER |
| Compound Number | 54 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H117N7O11S3 |
| InChI | InChI=1S/C64H117N7O11S3/c1-10-12-14-16-18-20-22-24-26-28-30-32-34-36-42-84-47-53(62(79)81-8)70-60(77)54-38-37-41-71(54)61(78)51(44-49(3)4)67-55(72)45-65-58(75)50(40-43-83-9)69-59(76)52(68-56(73)46-66-63(80)82-64(5,6)7)48-85-57(74)39-35-33-31-29-27-25-23-21-19-17-15-13-11-2/h49-54H,10-48H2,1-9H3,(H,65,75)(H,66,80)(H,67,72)(H,68,73)(H,69,76)(H,70,77)/t50-,51+,52-,53+,54+/m1/s1 |
| InChIKey | WYSZDUMJNUNAPI-IPFTUNBJSA-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 | 1256.853 g/mol |
| Solvent | CDCl3:CD3OD=1:1 |
| Source File Reference | UWSI23443 |