A1AWG
Summary
| Name: | N-[(2R)-1-(naphthalen-1-yl)propan-2-yl]-2-[3-oxo-3-(2-{4-oxo-4-[(pyridin-3-yl)amino]butanoyl}hydrazin-1-yl)propyl]benzamide |
| Formula: | C32 H33 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 551.636 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(2R)-1-(naphthalen-1-yl)propan-2-yl]-2-[3-oxo-3-(2-{4-oxo-4-[(pyridin-3-yl)amino]butanoyl}hydrazin-1-yl)propyl]benzamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2~{R})-1-naphthalen-1-ylpropan-2-yl]-2-[3-oxidanylidene-3-[2-[4-oxidanylidene-4-(pyridin-3-ylamino)butanoyl]hydrazinyl]propyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cccnc1)CCC(=O)NNC(=O)CCc1ccccc1C(=O)NC(C)Cc1cccc2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C32H33N5O4/c1-22(20-25-11-6-10-23-8-2-4-13-27(23)25)34-32(41)28-14-5-3-9-24(28)15-16-30(39)36-37-31(40)18-17-29(38)35-26-12-7-19-33-21-26/h2-14,19,21-22H,15-18,20H2,1H3,(H,34,41)(H,35,38)(H,36,39)(H,37,40)/t22-/m1/s1 |
| InChIKey | InChI | 1.06 | RUTWXOPIDMUTLS-JOCHJYFZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Cc1cccc2ccccc12)NC(=O)c3ccccc3CCC(=O)NNC(=O)CCC(=O)Nc4cccnc4 |
| SMILES | CACTVS | 3.385 | C[CH](Cc1cccc2ccccc12)NC(=O)c3ccccc3CCC(=O)NNC(=O)CCC(=O)Nc4cccnc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](Cc1cccc2c1cccc2)NC(=O)c3ccccc3CCC(=O)NNC(=O)CCC(=O)Nc4cccnc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(Cc1cccc2c1cccc2)NC(=O)c3ccccc3CCC(=O)NNC(=O)CCC(=O)Nc4cccnc4 |
