![L-Phenylalanine, N-[N-[N-[N2,N5-bis(1-oxodecyl)-L-ornithyl]-L-alanyl]-L-alanyl]-, methyl ester](/api/spectrum/2c6VBemVsFx/structure.png?h=300&w=458 "L-Phenylalanine, N-[N-[N-[N2,N5-bis(1-oxodecyl)-L-ornithyl]-L-alanyl]-L-alanyl]-, methyl ester")
| SpectraBase Compound ID | 64CTTXUrMmr |
|---|---|
| InChI | InChI=1S/C41H69N5O7/c1-6-8-10-12-14-16-21-27-36(47)42-29-23-26-34(45-37(48)28-22-17-15-13-11-9-7-2)40(51)44-31(3)38(49)43-32(4)39(50)46-35(41(52)53-5)30-33-24-19-18-20-25-33/h18-20,24-25,31-32,34-35H,6-17,21-23,26-30H2,1-5H3,(H,42,47)(H,43,49)(H,44,51)(H,45,48)(H,46,50) |
| InChIKey | INYVTPYQEXKDPP-UHFFFAOYSA-N |
| Mol Weight | 744.0 g/mol |
| Molecular Formula | C41H69N5O7 |
| Exact Mass | 743.5197 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2c6VBemVsFx |
|---|---|
| Name | L-Phenylalanine, N-[N-[N-[N2,N5-bis(1-oxodecyl)-L-ornithyl]-L-alanyl]-L-alanyl]-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 743.519699575 u |
| Formula | C41H69N5O7 |
| InChI | InChI=1S/C41H69N5O7/c1-6-8-10-12-14-16-21-27-36(47)42-29-23-26-34(45-37(48)28-22-17-15-13-11-9-7-2)40(51)44-31(3)38(49)43-32(4)39(50)46-35(41(52)53-5)30-33-24-19-18-20-25-33/h18-20,24-25,31-32,34-35H,6-17,21-23,26-30H2,1-5H3,(H,42,47)(H,43,49)(H,44,51)(H,45,48)(H,46,50) |
| InChIKey | INYVTPYQEXKDPP-UHFFFAOYSA-N |
| SMILES | C(CC(NCCC[C@@](C(N[C@](C(N[C@](C(N[C@](C(OC)=O)(CC1=CC=CC=C1)[H])=O)(C)[H])=O)(C)[H])=O)(NC(=O)CCCCCCCCC)[H])=O)CCCCCCC |