PP5
Summary
| Name: | METHYL (2S)-[1-((N-(NAPHTHALENEACETYL))-L-VALYL)AMINOMETHYL)HYDROXYPHOSPHINYLOXY]-3-PHENYL PROPANOATE |
| Formula: | C28 H32 N2 O7 P |
| Formal charge: | -1 |
| Formula weight: | 539.537 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-({[(1S)-1-benzyl-2-methoxy-2-oxoethoxy]phosphinato}methyl)-N~2~-(naphthalen-1-ylacetyl)-L-valinamide |
| OpenEye OEToolkits | 1.5.0 | [(2S)-1-methoxy-1-oxo-3-phenyl-propan-2-yl]oxy-[[[(2S)-3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanoyl]amino]methyl]phosphinate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC(C(=O)NCP([O-])(=O)OC(C(=O)OC)Cc1ccccc1)C(C)C)Cc3c2ccccc2ccc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)[C@H](Cc1ccccc1)O[P]([O-])(=O)CNC(=O)[C@@H](NC(=O)Cc2cccc3ccccc23)C(C)C |
| SMILES | CACTVS | 3.341 | COC(=O)[CH](Cc1ccccc1)O[P]([O-])(=O)CNC(=O)[CH](NC(=O)Cc2cccc3ccccc23)C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)[C@@H](C(=O)NC[P@](=O)([O-])O[C@@H](Cc1ccccc1)C(=O)OC)NC(=O)Cc2cccc3c2cccc3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)C(C(=O)NCP(=O)([O-])OC(Cc1ccccc1)C(=O)OC)NC(=O)Cc2cccc3c2cccc3 |
| InChI | InChI | 1.03 | InChI=1S/C28H33N2O7P/c1-19(2)26(30-25(31)17-22-14-9-13-21-12-7-8-15-23(21)22)27(32)29-18-38(34,35)37-24(28(33)36-3)16-20-10-5-4-6-11-20/h4-15,19,24,26H,16-18H2,1-3H3,(H,29,32)(H,30,31)(H,34,35)/p-1/t24-,26-/m0/s1 |
| InChIKey | InChI | 1.03 | AYDPZCGMCQBSDG-AHWVRZQESA-M |
