27U
Summary
| Name: | N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-L-prolinamide |
| Formula: | C22 H26 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 378.467 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-L-prolinamide |
| OpenEye OEToolkits | 1.7.0 | (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)CCc2ccccc2)CCC3 |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CCc3ccccc3)cc1 |
| SMILES | CACTVS | 3.370 | NC(=N)c1ccc(CNC(=O)[CH]2CCCN2C(=O)CCc3ccccc3)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCc3ccccc3)\N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CCC(=O)N2CCCC2C(=O)NCc3ccc(cc3)C(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C22H26N4O2/c23-21(24)18-11-8-17(9-12-18)15-25-22(28)19-7-4-14-26(19)20(27)13-10-16-5-2-1-3-6-16/h1-3,5-6,8-9,11-12,19H,4,7,10,13-15H2,(H3,23,24)(H,25,28)/t19-/m0/s1 |
| InChIKey | InChI | 1.03 | RNZKCCPFUWHBFY-IBGZPJMESA-N |
