59H
Summary
| Name: | (2R,4S)-5,5-dimethyl-2-[(1R)-2-oxo-1-{[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}ethyl]-1,3-thiazolidine-4-carboxylic acid |
| Formula: | C20 H25 N5 O6 S |
| Formal charge: | 0 |
| Formula weight: | 463.507 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,4S)-5,5-dimethyl-2-[(1R)-2-oxo-1-{[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}ethyl]-1,3-thiazolidine-4-carboxylic acid |
| OpenEye OEToolkits | 1.9.2 | (2R,4S)-5,5-dimethyl-2-[(1R)-2-oxidanylidene-1-[[(2R)-2-[(2-oxidanylideneimidazolidin-1-yl)carbonylamino]-2-phenyl-ethanoyl]amino]ethyl]-1,3-thiazolidine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(C(C1NC(C(O)=O)C(C)(C)S1)C=O)C(C(NC(N2C(NCC2)=O)=O)c3ccccc3)=O |
| InChI | InChI | 1.03 | InChI=1S/C20H25N5O6S/c1-20(2)14(17(28)29)24-16(32-20)12(10-26)22-15(27)13(11-6-4-3-5-7-11)23-19(31)25-9-8-21-18(25)30/h3-7,10,12-14,16,24H,8-9H2,1-2H3,(H,21,30)(H,22,27)(H,23,31)(H,28,29)/t12-,13-,14+,16-/m1/s1 |
| InChIKey | InChI | 1.03 | FATONWNMDXFMAN-HGTKMLMNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)S[C@@H](N[C@H]1C(O)=O)[C@H](NC(=O)[C@H](NC(=O)N2CCNC2=O)c3ccccc3)C=O |
| SMILES | CACTVS | 3.385 | CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)[CH](NC(=O)N2CCNC2=O)c3ccccc3)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)NC(=O)N3CCNC3=O)C(=O)O)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC1(C(NC(S1)C(C=O)NC(=O)C(c2ccccc2)NC(=O)N3CCNC3=O)C(=O)O)C |
