| SpectraBase Compound ID | LLKsPZw4Xwl |
|---|---|
| InChI | InChI=1S/C39H64N6O9/c1-23(2)30(40)33(48)42-27(14-11-12-20-41-37(52)54-39(8,9)10)32(47)44-31(24(3)4)34(49)43-28(22-25-16-18-26(46)19-17-25)35(50)45-21-13-15-29(45)36(51)53-38(5,6)7/h16-19,23-24,27-31,46H,11-15,20-22,40H2,1-10H3,(H,41,52)(H,42,48)(H,43,49)(H,44,47)/t27-,28-,29-,30-,31-/m1/s1 |
| InChIKey | NQXFWZMYOUKFRI-JQWMYKLHSA-N |
| Mol Weight | 761.0 g/mol |
| Molecular Formula | C39H64N6O9 |
| Exact Mass | 760.473478 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5RkkgU1kuL0 |
|---|---|
| Name | VALINE-(TERT-BUTYLOXYCARBONYL)LYSINE-VALINE-TYROSINE-PROLINE-O-TERT-BUTYL PENTAPEPTIDE |
| Comments | C |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C39H64N6O9 |
| InChI | InChI=1S/C39H64N6O9/c1-23(2)30(40)33(48)42-27(14-11-12-20-41-37(52)54-39(8,9)10)32(47)44-31(24(3)4)34(49)43-28(22-25-16-18-26(46)19-17-25)35(50)45-21-13-15-29(45)36(51)53-38(5,6)7/h16-19,23-24,27-31,46H,11-15,20-22,40H2,1-10H3,(H,41,52)(H,42,48)(H,43,49)(H,44,47)/t27-,28-,29-,30-,31-/m1/s1 |
| InChIKey | NQXFWZMYOUKFRI-JQWMYKLHSA-N |
| Instrument Name | Bruker WP-80 |
| Literature Reference | V.I.SVERGUN, M.B.SMIRNOV, A.A.ANTONOV, E.P.KRYSIN, V.P.PANOV, T.KH.NIKITINA(1981) Khim.Farm.Zhurn.(Russ. Lang.): N5, 92-97. |
| NMR Standard | DMSO-D6 |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | C2D6SO dimethylsulfo |