L52
Summary
| Name: | N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide |
| Formula: | C20 H17 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 347.367 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide |
| OpenEye OEToolkits | 1.7.6 | N-[(2S)-3-azanyl-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]-4-(4-phenylbuta-1,3-diynyl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C(=O)NO)CN)c2ccc(C#CC#Cc1ccccc1)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C20H17N3O3/c21-14-18(20(25)23-26)22-19(24)17-12-10-16(11-13-17)9-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,10-13,18,26H,14,21H2,(H,22,24)(H,23,25)/t18-/m0/s1 |
| InChIKey | InChI | 1.03 | RMTUQHBOIGEBSC-SFHVURJKSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC[C@H](NC(=O)c1ccc(cc1)C#CC#Cc2ccccc2)C(=O)NO |
| SMILES | CACTVS | 3.370 | NC[CH](NC(=O)c1ccc(cc1)C#CC#Cc2ccccc2)C(=O)NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C#CC#Cc2ccc(cc2)C(=O)N[C@@H](CN)C(=O)NO |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C#CC#Cc2ccc(cc2)C(=O)NC(CN)C(=O)NO |
