ABY
Summary
| Name: | N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-L-CYSTEINYLGLYCINE |
| Formula: | C17 H25 N3 O5 S |
| Formal charge: | 0 |
| Formula weight: | 383.463 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-(4-aminobutanoyl)-S-(4-methoxybenzyl)-L-cysteinylglycine |
| OpenEye OEToolkits | 1.5.0 | 2-[[(2R)-2-(4-aminobutanoylamino)-3-[(4-methoxyphenyl)methylsulfanyl]propanoyl]amino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CNC(=O)C(NC(=O)CCCN)CSCc1ccc(OC)cc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(CSC[C@H](NC(=O)CCCN)C(=O)NCC(O)=O)cc1 |
| SMILES | CACTVS | 3.341 | COc1ccc(CSC[CH](NC(=O)CCCN)C(=O)NCC(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CCCN |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1)CSCC(C(=O)NCC(=O)O)NC(=O)CCCN |
| InChI | InChI | 1.03 | InChI=1S/C17H25N3O5S/c1-25-13-6-4-12(5-7-13)10-26-11-14(17(24)19-9-16(22)23)20-15(21)3-2-8-18/h4-7,14H,2-3,8-11,18H2,1H3,(H,19,24)(H,20,21)(H,22,23)/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | OMOPDEZZBQHMGS-AWEZNQCLSA-N |
