![N-[(N-Benzoyl-O-benzyl)-L-seryl-(2-diethoxy phosphoryl)glycyl]-L-Leucine Methyl Ester](/api/spectrum/2YtYUWDGJ4y/structure.png?h=300&w=458 "N-[(N-Benzoyl-O-benzyl)-L-seryl-(2-diethoxy phosphoryl)glycyl]-L-Leucine Methyl Ester")
| SpectraBase Compound ID | 2zM7bQEC6Wj |
|---|---|
| InChI | InChI=1S/C30H42N3O9P/c1-6-41-43(38,42-7-2)29(28(36)31-24(18-21(3)4)30(37)39-5)33-27(35)25(20-40-19-22-14-10-8-11-15-22)32-26(34)23-16-12-9-13-17-23/h8-17,21,24-25,29H,6-7,18-20H2,1-5H3,(H,31,36)(H,32,34)(H,33,35)/t24-,25-,29?/m0/s1 |
| InChIKey | VRBHRGKZEFNHDI-CXBRBUDWSA-N |
| Mol Weight | 619.7 g/mol |
| Molecular Formula | C30H42N3O9P |
| Exact Mass | 619.265867 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2YtYUWDGJ4y |
|---|---|
| Name | N-[(N-Benzoyl-O-benzyl)-L-seryl-(2-diethoxy phosphoryl)glycyl]-L-Leucine Methyl Ester |
| Appearance | Syrup |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 619.265866933 u |
| Formula | C30H42N3O9P |
| InChI | InChI=1S/C30H42N3O9P/c1-6-41-43(38,42-7-2)29(28(36)31-24(18-21(3)4)30(37)39-5)33-27(35)25(20-40-19-22-14-10-8-11-15-22)32-26(34)23-16-12-9-13-17-23/h8-17,21,24-25,29H,6-7,18-20H2,1-5H3,(H,31,36)(H,32,34)(H,33,35)/t24-,25-,29?/m0/s1 |
| InChIKey | VRBHRGKZEFNHDI-CXBRBUDWSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/chem.201703758 |
| Molecular Weight | 619.652 g/mol |
| Quality | 25 |
| SMILES | N(C(C(N[C@](C(=O)OC)(CC(C)C)[H])=O)P(=O)(OCC)OCC)C([C@](COCC1=CC=CC=C1)(NC(C1=CC=CC=C1)=O)[H])=O |
| SPLASH | splash10-0a4l-6900000000-2c7b8c02014e7b1827f0 |
| Sample Comments | Mixture of isomer = 1:1 |
| Source of Spectrum | QE-24-SM7-15 (DOI: 10.1002/chem.201703758) |
| Wiley ID | 1901482 |