| SpectraBase Compound ID | 6LKXcqsXDKo |
|---|---|
| InChI | InChI=1S/C42H61N3O10/c1-11-31(43-37(47)35(28(6)7)45-41(51)55-42(8,9)10)39(49)54-34(24-29-18-14-12-15-19-29)40(50)53-33(23-27(4)5)36(46)44-32(22-26(2)3)38(48)52-25-30-20-16-13-17-21-30/h12-21,26-28,31-35H,11,22-25H2,1-10H3,(H,43,47)(H,44,46)(H,45,51)/t31-,32-,33?,34-,35+/m1/s1 |
| InChIKey | PPXAEMJXMZMZNW-VJABVDBHSA-N |
| Mol Weight | 768.0 g/mol |
| Molecular Formula | C42H61N3O10 |
| Exact Mass | 767.435695 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | F0ZOdu4exy1 |
|---|---|
| Name | Boc-Val-(R)-Abu-Hpp-Hmp-(R)-Leu-Obn |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H61N3O10 |
| InChI | InChI=1S/C42H61N3O10/c1-11-31(43-37(47)35(28(6)7)45-41(51)55-42(8,9)10)39(49)54-34(24-29-18-14-12-15-19-29)40(50)53-33(23-27(4)5)36(46)44-32(22-26(2)3)38(48)52-25-30-20-16-13-17-21-30/h12-21,26-28,31-35H,11,22-25H2,1-10H3,(H,43,47)(H,44,46)(H,45,51)/t31-,32-,33?,34-,35+/m1/s1 |
| InChIKey | PPXAEMJXMZMZNW-VJABVDBHSA-N |
| Molecular Weight | 767.961 g/mol |
| SMILES | N(C([C@@](NC(OC(C)(C)C)=O)(C(C)C)[H])=O)[C@@](C(O[C@@](C(OC(C(N[C@@](C(OCc1ccccc1)=O)(CC(C)C)[H])=O)CC(C)C)=O)(Cc1ccccc1)[H])=O)(CC)[H] |
| SPLASH | splash10-00di-9000000000-2b785f4cfc4f34eaea8f |
| Source of Spectrum | J-64-1666-27 |
| Wiley ID | 1529486 |