6AO
Summary
| Name: | (2S)-2-azanyl-N-[(2S)-1-azanylidene-3-(4-phenylphenyl)propan-2-yl]butanamide |
| Formula: | C19 H23 N3 O |
| Formal charge: | 0 |
| Formula weight: | 309.405 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-N-[(2S,3E)-1-(biphenyl-4-yl)-3-iminopropan-2-yl]butanamide |
| OpenEye OEToolkits | 1.9.2 | (2S)-2-azanyl-N-[(2S)-1-azanylidene-3-(4-phenylphenyl)propan-2-yl]butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C=[N@H])Cc1ccc(cc1)c2ccccc2)C(N)CC |
| InChI | InChI | 1.03 | InChI=1S/C19H23N3O/c1-2-18(21)19(23)22-17(13-20)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13,17-18,20H,2,12,21H2,1H3,(H,22,23)/b20-13+/t17-,18-/m0/s1 |
| InChIKey | InChI | 1.03 | ZXBGAEQZJOOPGZ-XYLSPAALSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](N)C(=O)N[C@@H](Cc1ccc(cc1)c2ccccc2)C=N |
| SMILES | CACTVS | 3.385 | CC[CH](N)C(=O)N[CH](Cc1ccc(cc1)c2ccccc2)C=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | [H]/N=C/[C@H](Cc1ccc(cc1)c2ccccc2)NC(=O)[C@H](CC)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCC(C(=O)NC(Cc1ccc(cc1)c2ccccc2)C=N)N |
