| SpectraBase Compound ID | BGDOBJH7Z8k |
|---|---|
| InChI | InChI=1S/C36H45N4O8P/c1-25(2)32(39-36(44)46-24-27-15-8-5-9-16-27)35(43)40-22-14-21-30(40)33(42)37-23-31(41)38-34(26(3)4)49(45,47-28-17-10-6-11-18-28)48-29-19-12-7-13-20-29/h5-13,15-20,25-26,30,32,34H,14,21-24H2,1-4H3,(H,37,42)(H,38,41)(H,39,44) |
| InChIKey | OLCMXQWTFKAVAX-UHFFFAOYSA-N |
| Mol Weight | 692.7 g/mol |
| Molecular Formula | C36H45N4O8P |
| Exact Mass | 692.297501 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | tAC7djSlvc |
|---|---|
| Name | diphenyl N-(benzyloxycarbonyl)-L-valyl-L-prolyl-glycyl-(2-decarboxy-DL-valin-2-yl)phosphonate |
| Alternate Name(s) | diphenyl 1-{[({[1-(2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoyl)-2-pyrrolidinyl]carbonyl}amino)acetyl]amino}-2-methylpropylphosphonate |
| CAS Registry Number | 126452-40-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H45N4O8P |
| InChI | InChI=1S/C36H45N4O8P/c1-25(2)32(39-36(44)46-24-27-15-8-5-9-16-27)35(43)40-22-14-21-30(40)33(42)37-23-31(41)38-34(26(3)4)49(45,47-28-17-10-6-11-18-28)48-29-19-12-7-13-20-29/h5-13,15-20,25-26,30,32,34H,14,21-24H2,1-4H3,(H,37,42)(H,38,41)(H,39,44) |
| InChIKey | OLCMXQWTFKAVAX-UHFFFAOYSA-N |
| Molecular Weight | 692.750 g/mol |
| SMILES | N(C(P(Oc1ccccc1)(Oc1ccccc1)=O)C(C)C)C(CNC(C1N(C(C(NC(=O)OCc2ccccc2)C(C)C)=O)CCC1)=O)=O |
| SPLASH | splash10-0006-9410100000-c9dbf2473ab8e8aa5d9e |
| Source of Spectrum | H-72-421-15 |
| Wiley ID | 1414783 |