AGT
Summary
| Name: | S-{(S)-AMINO[(4-AMINOBUTYL)AMINO]METHYL}-L-CYSTEINE |
| Formula: | C8 H20 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 236.335 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | S-{(S)-amino[(4-aminobutyl)amino]methyl}-L-cysteine |
| OpenEye OEToolkits | 1.7.2 | (2R)-2-azanyl-3-[(S)-azanyl-(4-azanylbutylamino)methyl]sulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CSC(NCCCCN)N |
| InChI | InChI | 1.03 | InChI=1S/C8H20N4O2S/c9-3-1-2-4-12-8(11)15-5-6(10)7(13)14/h6,8,12H,1-5,9-11H2,(H,13,14)/t6-,8-/m0/s1 |
| InChIKey | InChI | 1.03 | GZLBOQUKGXMSFX-XPUUQOCRSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NCCCCN[C@H](N)SC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.370 | NCCCCN[CH](N)SC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C(CCN[C@H](N)SC[C@@H](C(=O)O)N)CN |
| SMILES | OpenEye OEToolkits | 1.7.2 | C(CCNC(N)SCC(C(=O)O)N)CN |
