RL2
Summary
| Name: | N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-L-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE |
| Synonyms: | WRR-112 |
| Formula: | C19 H28 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 364.436 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-hydroxy-4-({(2S)-1-[(3-methylbutyl)amino]-1-oxo-4-phenylbutan-2-yl}amino)-4-oxobutanoic acid |
| OpenEye OEToolkits | 1.7.0 | (3S)-3-hydroxy-4-[[(2S)-1-(3-methylbutylamino)-1-oxo-4-phenyl-butan-2-yl]amino]-4-oxo-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CC(O)C(=O)NC(C(=O)NCCC(C)C)CCc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)CCNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H](O)CC(O)=O |
| SMILES | CACTVS | 3.370 | CC(C)CCNC(=O)[CH](CCc1ccccc1)NC(=O)[CH](O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)CCNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)CCNC(=O)C(CCc1ccccc1)NC(=O)C(CC(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C19H28N2O5/c1-13(2)10-11-20-18(25)15(9-8-14-6-4-3-5-7-14)21-19(26)16(22)12-17(23)24/h3-7,13,15-16,22H,8-12H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)/t15-,16-/m0/s1 |
| InChIKey | InChI | 1.03 | KVZMXOVSHIMGNA-HOTGVXAUSA-N |
