K1R
Summary
| Name: | (2S)-2-AMINO-4-[({[(2R)-2-AMINO-2-CARBOXYETHYL]THIO}AMINO)SULFINYL]BUTANOIC ACID |
| Synonyms: | N-THIOSULFOXIMIDE |
| Formula: | C7 H15 N3 O5 S2 |
| Formal charge: | 0 |
| Formula weight: | 285.341 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-amino-4-[(R)-({[(2R)-2-amino-2-carboxyethyl]sulfanyl}amino)sulfinyl]butanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-4-[(2R)-2-amino-3-hydroxy-3-oxo-propyl]sulfanylsulfinamoyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(NSCC(N)C(=O)O)CCC(C(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CC[S@@](=O)NSC[C@H](N)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CC[S](=O)NSC[CH](N)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C[S@@](=O)NSC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CS(=O)NSCC(C(=O)O)N)C(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C7H15N3O5S2/c8-4(6(11)12)1-2-17(15)10-16-3-5(9)7(13)14/h4-5,10H,1-3,8-9H2,(H,11,12)(H,13,14)/t4-,5-,17+/m0/s1 |
| InChIKey | InChI | 1.03 | DHJNYCBDPASKIW-QJBRIOCBSA-N |
