FVF
Summary
| Name: | O-((((N-PHENYL-METHOXY-CARBONYL)-PHENYL ALANYL-CARBONYL)AMINO)-ISOBUTYL)HYDROXY PHOSPHINYL)-3-PHENYLACETIC ACID |
| Formula: | C30 H35 N2 O8 P |
| Formal charge: | 0 |
| Formula weight: | 582.581 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-{[(R)-[(1R)-1-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)-2-methylpropyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-[hydroxy-[(1R)-2-methyl-1-[[(2S)-3-phenyl-2-phenylmethoxycarbonylamino-propanoyl]amino]propyl]phosphoryl]oxy-3-phenyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(OP(=O)(O)C(NC(=O)C(NC(=O)OCc1ccccc1)Cc2ccccc2)C(C)C)Cc3ccccc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)[P@](O)(=O)O[C@@H](Cc3ccccc3)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(C)[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2)[P](O)(=O)O[CH](Cc3ccccc3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)[P@@](=O)(O)O[C@@H](Cc3ccccc3)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)OCc2ccccc2)P(=O)(O)OC(Cc3ccccc3)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C30H35N2O8P/c1-21(2)28(41(37,38)40-26(29(34)35)19-23-14-8-4-9-15-23)32-27(33)25(18-22-12-6-3-7-13-22)31-30(36)39-20-24-16-10-5-11-17-24/h3-17,21,25-26,28H,18-20H2,1-2H3,(H,31,36)(H,32,33)(H,34,35)(H,37,38)/t25-,26-,28+/m0/s1 |
| InChIKey | InChI | 1.03 | NXIYKBRAJXXOLO-UNCTUWKVSA-N |
