BAG
Summary
| Name: | N-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-2-HYDROXYVINYL]BENZAMIDE |
| Synonyms: | BENZOYL-L-ARGININE AMIDE |
| Formula: | C13 H19 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 277.322 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-{(1E)-1-[amino(hydroxy)methylidene]-4-carbamimidamidobutyl}benzamide |
| OpenEye OEToolkits | 1.5.0 | N-(1-amino-5-carbamimidamido-1-hydroxy-pent-1-en-2-yl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N/C(=C(/O)N)CCCNC(=[N@H])N)c1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | N\C(O)=C(CCCNC(N)=N)/NC(=O)c1ccccc1 |
| SMILES | CACTVS | 3.341 | NC(O)=C(CCCNC(N)=N)NC(=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)NC(=C(N)O)CCCNC(=N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)NC(=C(N)O)CCCNC(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C13H19N5O2/c14-11(19)10(7-4-8-17-13(15)16)18-12(20)9-5-2-1-3-6-9/h1-3,5-6,19H,4,7-8,14H2,(H,18,20)(H4,15,16,17) |
| InChIKey | InChI | 1.03 | YRINIXCRGISJPA-UHFFFAOYSA-N |
