| PDB CCD ID: | 2V0 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C8 H12 N2 O4 S |
| InChI: | InChI=1S/C8H12N2O4S/c1-3-2-15-6(4(9)7(11)12)10-5(3)8(13)14/h4,6,10H,2,9H2,1H3,(H,11,12)(H,13,14)/t4-,6+/m0/s1 |
| InChIKey: | WFPVQOKEJDXMTD-UJURSFKZSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC1=C(N[CH](SC1)[CH](N)C(O)=O)C(O)=O | | OpenEye OEToolkits 1.7.6 | CC1=C(NC(SC1)C(C(=O)O)N)C(=O)O | | OpenEye OEToolkits 1.7.6 | CC1=C(N[C@H](SC1)[C@@H](C(=O)O)N)C(=O)O | | CACTVS 3.385 | CC1=C(N[C@H](SC1)[C@H](N)C(O)=O)C(O)=O | | ACDLabs 12.01 | O=C(O)C(N)C1SCC(=C(C(=O)O)N1)C |
|
| Name: | (2R)-2-[(R)-amino(carboxy)methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid;
7-aminodeacetoxycephalosporanic acid, hydrolyzed form |
| ZINC: | ZINC000103524509 |
umich.edu