PMJ
Summary
| Name: | N~2~-(benzylsulfonyl)-D-arginyl-N-(4-carbamimidoylbenzyl)glycinamide |
| Formula: | C23 H32 N8 O4 S |
| Formal charge: | 0 |
| Formula weight: | 516.616 Da |
| Component type: | PEPTIDE-LIKE |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~2~-(benzylsulfonyl)-D-arginyl-N-(4-carbamimidoylbenzyl)glycinamide |
| OpenEye OEToolkits | 1.7.0 | (2R)-5-carbamimidamido-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-ethyl]-2-(phenylmethylsulfonylamino)pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(NC(C(=O)NCC(=O)NCc1ccc(C(=[N@H])N)cc1)CCCNC(=[N@H])N)Cc2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=N)NCCC[C@@H](N[S](=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc2ccc(cc2)C(N)=N |
| SMILES | CACTVS | 3.370 | NC(=N)NCCC[CH](N[S](=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc2ccc(cc2)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(/c1ccc(cc1)CNC(=O)CNC(=O)[C@@H](CCCN/C(=N/[H])/N)NS(=O)(=O)Cc2ccccc2)\\N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CS(=O)(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NCc2ccc(cc2)C(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C23H32N8O4S/c24-21(25)18-10-8-16(9-11-18)13-29-20(32)14-30-22(33)19(7-4-12-28-23(26)27)31-36(34,35)15-17-5-2-1-3-6-17/h1-3,5-6,8-11,19,31H,4,7,12-15H2,(H3,24,25)(H,29,32)(H,30,33)(H4,26,27,28)/t19-/m1/s1 |
| InChIKey | InChI | 1.03 | MVMUALCRWZYTQR-LJQANCHMSA-N |
