BES
Summary
| Name: | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID |
| Synonyms: | BESTATIN |
| Formula: | C16 H24 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 308.373 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]-L-leucine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenyl-butanoyl]amino]-4-methyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NC(=O)C(O)C(N)Cc1ccccc1)CC(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(C)C[CH](NC(=O)[CH](O)[CH](N)Cc1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CC(C(=O)O)NC(=O)C(C(Cc1ccccc1)N)O |
| InChI | InChI | 1.03 | InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1 |
| InChIKey | InChI | 1.03 | VGGGPCQERPFHOB-RDBSUJKOSA-N |
