W05
Summary
| Name: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-ALANINE |
| Formula: | C12 H21 N3 O6 S |
| Formal charge: | 0 |
| Formula weight: | 335.377 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-alanine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-6-[[(2R)-1-[[(2R)-1-hydroxy-1-oxo-propan-2-yl]amino]-1-oxo-3-sulfanyl-propan-2-yl]amino]-6-oxo-hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC(C(=O)O)C)C(NC(=O)CCCC(C(=O)O)N)CS |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](NC(=O)[C@H](CS)NC(=O)CCC[C@H](N)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](NC(=O)[CH](CS)NC(=O)CCC[CH](N)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(=O)O)NC(=O)C(CS)NC(=O)CCCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C12H21N3O6S/c1-6(11(18)19)14-10(17)8(5-22)15-9(16)4-2-3-7(13)12(20)21/h6-8,22H,2-5,13H2,1H3,(H,14,17)(H,15,16)(H,18,19)(H,20,21)/t6-,7+,8+/m1/s1 |
| InChIKey | InChI | 1.03 | SYXVLKYCLDJBRU-CSMHCCOUSA-N |
