| PDB CCD ID: | XD1 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C8 H14 N2 O3 S |
| InChI: | InChI=1S/C8H14N2O3S/c1-8(2)5(7(12)13)10-6(14-8)4(9)3-11/h3-6,10H,9H2,1-2H3,(H,12,13)/t4-,5+,6-/m1/s1 |
| InChIKey: | SVTWYXMNISTMAS-NGJCXOISSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | CC1([C@@H](N[C@H](S1)[C@@H](C=O)N)C(=O)O)C | | ACDLabs 12.01 | O=C(O)C1NC(SC1(C)C)C(N)C=O | | OpenEye OEToolkits 1.7.6 | CC1(C(NC(S1)C(C=O)N)C(=O)O)C | | CACTVS 3.370 | CC1(C)S[CH](N[CH]1C(O)=O)[CH](N)C=O | | CACTVS 3.370 | CC1(C)S[C@@H](N[C@H]1C(O)=O)[C@H](N)C=O |
|
| Name: | (2R,4S)-2-[(1R)-1-amino-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;
6-aminopenicillian, bound form |
| ZINC: | ZINC000103561120 |
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