| SpectraBase Compound ID | 1MqnIgVe5Zw |
|---|---|
| InChI | InChI=1S/C30H53N3O7S2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-27(36)42-23-25(33-30(39)40-20-5-2)29(38)32-24(19-21-41-3)28(37)31-22-26(34)35/h5,24-25H,2,4,6-23H2,1,3H3,(H,31,37)(H,32,38)(H,33,39)(H,34,35)/t24-,25-/m0/s1 |
| InChIKey | XBGOFTCOFPHSDR-DQEYMECFSA-N |
| Mol Weight | 631.9 g/mol |
| Molecular Formula | C30H53N3O7S2 |
| Exact Mass | 631.332493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BQVtcpb5ds9 |
|---|---|
| Name | N-ALLYLOXYCARBONYL-(S-PALMITOYL)-L-CYSTEYL-L-METHIONYL-GLYCINE;ALOCCYS(PAL)-METGLYOH |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H53N3O7S2 |
| InChI | InChI=1S/C30H53N3O7S2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-27(36)42-23-25(33-30(39)40-20-5-2)29(38)32-24(19-21-41-3)28(37)31-22-26(34)35/h5,24-25H,2,4,6-23H2,1,3H3,(H,31,37)(H,32,38)(H,33,39)(H,34,35)/t24-,25-/m0/s1 |
| InChIKey | XBGOFTCOFPHSDR-DQEYMECFSA-N |
| Literature Reference Author | M.SCHELHAAS,E.NAEGELE,N.KUDER,B.BADER,J.KUHLMANN,A.WITTINGHO FER,H.WALDMANN |
| Literature Reference Citation | CHEM.EUR.J.,5,1239(1999) |
| Literature Reference DOI | 10.1002/(sici)1521-3765(19990401)5:4<1239::aid-chem1239>3.3.co;2-e |
| Molecular Weight | 631.887 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU9622 |