GEM
Summary
| Name: | (2-GUANIDINOETHYLMERCAPTO)SUCCINIC ACID |
| Synonyms: | 2-GUANIDINOETHYLTHIO)SUCCINIC ACID GUANIDINOETHYL MERCAPTOSUCCINIC ACID; GEMSA |
| Formula: | C7 H13 N3 O4 S |
| Formal charge: | 0 |
| Formula weight: | 235.261 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-[(2-carbamimidamidoethyl)sulfanyl]butanedioic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-(2-carbamimidamidoethylsulfanyl)butanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(SCCNC(=[N@H])N)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)NCCS[C@@H](CC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | NC(=N)NCCS[CH](CC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CS[C@@H](CC(=O)O)C(=O)O)NC(=N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CSC(CC(=O)O)C(=O)O)NC(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C7H13N3O4S/c8-7(9)10-1-2-15-4(6(13)14)3-5(11)12/h4H,1-3H2,(H,11,12)(H,13,14)(H4,8,9,10)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | VKVCLXDFOQQABP-BYPYZUCNSA-N |
