HCG
Summary
| Name: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-GLYCINE |
| Formula: | C11 H19 N3 O6 S |
| Formal charge: | 0 |
| Formula weight: | 321.35 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinylglycine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-6-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanyl-propan-2-yl]amino]-6-oxo-hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NCC(=O)O)C(NC(=O)CCCC(C(=O)O)N)CS |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CCCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CS)C(=O)NCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CC(C(=O)O)N)CC(=O)NC(CS)C(=O)NCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H19N3O6S/c12-6(11(19)20)2-1-3-8(15)14-7(5-21)10(18)13-4-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1 |
| InChIKey | InChI | 1.03 | XFOOPZIJVVDYHI-BQBZGAKWSA-N |
