C1X
Summary
| Name: | (Z)-N~6~-[(4R,5S)-5-(2-CARBOXYETHYL)-4-(CARBOXYMETHYL)DIHYDRO-2H-THIOPYRAN-3(4H)-YLIDENE]-L-LYSINE |
| Synonyms: | 2-AMINO-6-[5-(2-CARBOXY-ETHYL)-4-CARBOXYMETHYL-DIHYDRO-THIOPYRAN-3-YLIDENEAMINO]-HEXANOIC ACID |
| Formula: | C16 H26 N2 O6 S |
| Formal charge: | 0 |
| Formula weight: | 374.452 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (E)-N~6~-[(4R,5S)-5-(2-carboxyethyl)-4-(carboxymethyl)dihydro-2H-thiopyran-3(4H)-ylidene]-L-lysine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-6-[[(4R,5S)-5-(2-carboxyethyl)-4-(carboxymethyl)thian-3-ylidene]amino]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CCCC/N=C1/CSCC(CCC(=O)O)C1CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCCCN=C1CSC[C@@H](CCC(O)=O)[C@H]1CC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CCCCN=C1CSC[CH](CCC(O)=O)[CH]1CC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@H]([C@H](/C(=N\CCCC[C@@H](C(=O)O)N)/CS1)CC(=O)O)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(C(=NCCCCC(C(=O)O)N)CS1)CC(=O)O)CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C16H26N2O6S/c17-12(16(23)24)3-1-2-6-18-13-9-25-8-10(4-5-14(19)20)11(13)7-15(21)22/h10-12H,1-9,17H2,(H,19,20)(H,21,22)(H,23,24)/b18-13-/t10-,11-,12+/m1/s1 |
| InChIKey | InChI | 1.03 | QSTNGCMYNFNDBP-YKZBZZRRSA-N |
