ATT
Summary
| Name: | 2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2-YL)-UREIDO]-N-METHYL-3-PHENYL-PROPIONAMIDE |
| Formula: | C13 H15 N5 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 337.421 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-methyl-Nalpha-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]-L-phenylalaninamide |
| OpenEye OEToolkits | 1.5.0 | (2S)-N-methyl-3-phenyl-2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoylamino]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(Nc1nnc(S)s1)NC(C(=O)NC)Cc2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | CNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc2sc(S)nn2 |
| SMILES | CACTVS | 3.341 | CNC(=O)[CH](Cc1ccccc1)NC(=O)Nc2sc(S)nn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc2nnc(s2)S |
| SMILES | OpenEye OEToolkits | 1.5.0 | CNC(=O)C(Cc1ccccc1)NC(=O)Nc2nnc(s2)S |
| InChI | InChI | 1.03 | InChI=1S/C13H15N5O2S2/c1-14-10(19)9(7-8-5-3-2-4-6-8)15-11(20)16-12-17-18-13(21)22-12/h2-6,9H,7H2,1H3,(H,14,19)(H,18,21)(H2,15,16,17,20)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | RKWXKADYTDWZIJ-VIFPVBQESA-N |
