FMZ
Summary
| Name: | (2R,4S)-5,5-dimethyl-2-[(1R)-2-oxo-1-({(2R)-2-[(2-oxoimidazolidin-1-yl)amino]-2-phenylacetyl}amino)ethyl]-1,3-thiazolidine-4-carboxylic acid |
| Formula: | C19 H25 N5 O5 S |
| Formal charge: | 0 |
| Formula weight: | 435.497 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R,4S)-5,5-dimethyl-2-[(1R)-2-oxo-1-({(2R)-2-[(2-oxoimidazolidin-1-yl)amino]-2-phenylacetyl}amino)ethyl]-1,3-thiazolidine-4-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | (2R,4S)-5,5-dimethyl-2-[(1R)-2-oxo-1-[[(2R)-2-[(2-oxoimidazolidin-1-yl)amino]-2-phenyl-ethanoyl]amino]ethyl]-1,3-thiazolidine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)NN3C(=O)NCC3 |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1(C)S[C@@H](N[C@H]1C(O)=O)[C@H](NC(=O)[C@H](NN2CCNC2=O)c3ccccc3)C=O |
| SMILES | CACTVS | 3.341 | CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)[CH](NN2CCNC2=O)c3ccccc3)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)NN3CCNC3=O)C(=O)O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1(C(NC(S1)C(C=O)NC(=O)C(c2ccccc2)NN3CCNC3=O)C(=O)O)C |
| InChI | InChI | 1.03 | InChI=1S/C19H25N5O5S/c1-19(2)14(17(27)28)22-16(30-19)12(10-25)21-15(26)13(11-6-4-3-5-7-11)23-24-9-8-20-18(24)29/h3-7,10,12-14,16,22-23H,8-9H2,1-2H3,(H,20,29)(H,21,26)(H,27,28)/t12-,13-,14+,16-/m1/s1 |
| InChIKey | InChI | 1.03 | RSQZNYWGVGFVHY-HGTKMLMNSA-N |
