PRD_000986
Summary
| Name: | N-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucylglycine |
| Formula: | C17 H26 N3 O7 P |
| Formal charge: | 0 |
| Fomular weight: | 415.378 |
| Component type: | peptide-like |
| Polymer sequences: | PHQ, PGL, LEU, GLY |
| Non-polymer components: | |
| BIRD class: | Inhibitor |
| Represented as: | single molecule |
| Families: | FAM_001022 |
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucylglycine |
| OpenEye OEToolkits | 1.7.2 | 2-[[(2S)-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CNC(=O)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C |
| InChI | InChI | 1.03 | InChI=1S/C17H26N3O7P/c1-12(2)8-14(16(23)18-9-15(21)22)20-28(25,26)11-19-17(24)27-10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,18,23)(H,19,24)(H,21,22)(H2,20,25,26)/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | NGPZALJIIRWBPS-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)C[C@H](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(O)=O |
| SMILES | CACTVS | 3.370 | CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC(C)C[C@@H](C(=O)NCC(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC(C)CC(C(=O)NCC(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O |
