| SpectraBase Compound ID | 49cdCqQbvhF |
|---|---|
| InChI | InChI=1S/C37H58N6O6/c1-21(2)17-26-32(44)38-28(19-23(5)6)34(46)42-31(24(7)8)36(48)40-27(18-22(3)4)33(45)41-29(20-25-13-10-9-11-14-25)37(49)43-16-12-15-30(43)35(47)39-26/h9-11,13-14,21-24,26-31H,12,15-20H2,1-8H3,(H,38,44)(H,39,47)(H,40,48)(H,41,45)(H,42,46)/t26-,27-,28+,29+,30-,31-/m0/s1 |
| InChIKey | QVOWLQGIVUTHGK-ZAFXZDQFSA-N |
| Mol Weight | 682.9 g/mol |
| Molecular Formula | C37H58N6O6 |
| Exact Mass | 682.441784 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9cARUx1OXF2 |
|---|---|
| Name | PHEPROPEPTIN-A;CYCLO-(-L-LEU-D-PHE-L-PRO-L-LEU-D-LEU-L-VAL-) |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H58N6O6 |
| InChI | InChI=1S/C37H58N6O6/c1-21(2)17-26-32(44)38-28(19-23(5)6)34(46)42-31(24(7)8)36(48)40-27(18-22(3)4)33(45)41-29(20-25-13-10-9-11-14-25)37(49)43-16-12-15-30(43)35(47)39-26/h9-11,13-14,21-24,26-31H,12,15-20H2,1-8H3,(H,38,44)(H,39,47)(H,40,48)(H,41,45)(H,42,46)/t26-,27-,28+,29+,30-,31-/m0/s1 |
| InChIKey | QVOWLQGIVUTHGK-ZAFXZDQFSA-N |
| Literature Reference Author | R.SEKIZAWA,I.MOMOSE,N.KINOSHITA,H.NAGANAWA,M.HAMADA,Y.MURAOK A,H.IINUMA,T.TAKEUCH |
| Literature Reference Citation | J.ANTIBIOTICS,54,874(2001) |
| Literature Reference DOI | 10.7164/antibiotics.54.874 |
| Molecular Weight | 682.904 g/mol |
| Solvent | CDCl3 |