L98
Summary
| Name: | (2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-SULFANYLPROPANOIC ACID |
| Synonyms: | 2-(3-GUANIDINOPHENYL)-3-MERCAPTOPROPANOIC ACID |
| Formula: | C10 H13 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 239.294 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-2-(3-carbamimidamidophenyl)-3-sulfanylpropanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-(3-carbamimidamidophenyl)-3-sulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(c1cc(NC(=[N@H])N)ccc1)CS |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)Nc1cccc(c1)[C@@H](CS)C(O)=O |
| SMILES | CACTVS | 3.341 | NC(=N)Nc1cccc(c1)[CH](CS)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)NC(=N)N)[C@@H](CS)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)NC(=N)N)C(CS)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H13N3O2S/c11-10(12)13-7-3-1-2-6(4-7)8(5-16)9(14)15/h1-4,8,16H,5H2,(H,14,15)(H4,11,12,13)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | YHBCRXAIIVZWEW-MRVPVSSYSA-N |
