| SpectraBase Compound ID | 4BeL1nIFaOb |
|---|---|
| InChI | InChI=1S/C30H36N6O10/c1-18(32-25(38)13-14-26(39)40)27(41)31-17-24(37)30(44)35-15-5-8-23(35)29(43)34-22(16-19-6-3-2-4-7-19)28(42)33-20-9-11-21(12-10-20)36(45)46/h2-4,6-7,9-12,18,22-24,37H,5,8,13-17H2,1H3,(H,31,41)(H,32,38)(H,33,42)(H,34,43)(H,39,40)/t18-,22-,23-,24?/m0/s1 |
| InChIKey | XNGAFHVZVDDFPQ-KQSUZSRESA-N |
| Mol Weight | 640.7 g/mol |
| Molecular Formula | C30H36N6O10 |
| Exact Mass | 640.249291 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Vr2YUEWmgc |
|---|---|
| Name | SUC-ALA-ISER-PRO-PHE-PNA |
| Compound Number | 16A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H36N6O10 |
| InChI | InChI=1S/C30H36N6O10/c1-18(32-25(38)13-14-26(39)40)27(41)31-17-24(37)30(44)35-15-5-8-23(35)29(43)34-22(16-19-6-3-2-4-7-19)28(42)33-20-9-11-21(12-10-20)36(45)46/h2-4,6-7,9-12,18,22-24,37H,5,8,13-17H2,1H3,(H,31,41)(H,32,38)(H,33,42)(H,34,43)(H,39,40)/t18-,22-,23-,24?/m0/s1 |
| InChIKey | XNGAFHVZVDDFPQ-KQSUZSRESA-N |
| Literature Reference Author | L.DEMANGE,M.MOUTIEZ,C.DUGAVE |
| Literature Reference Citation | J.MED.CHEM.,45,3928(2002) |
| Literature Reference DOI | 10.1021/jm020865i |
| Molecular Weight | 640.650 g/mol |
| Sample ID | 64822 |
| Solvent | CD3OD |