PDB CCD ID: | SPS |
Number of entries in FURNA: | 11 |
Chemical formula: | C13 H19 N3 O5 S2 |
InChI: | InChI=1S/C13H19N3O5S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-23(21)7-22-2/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)/b4-3+/t9-,23+/m0/s1 |
InChIKey: | XKLZIVIOZDNKEQ-CLQLPEFOSA-N |
SMILES: | CSC[S](=O)C[CH](CO)NC(=O)C=CC1=C(C)NC(=O)NC1=O; O=C1NC(=C(\C=C\C(=O)NC(CS(=O)CSC)CO)C(=O)N1)C; CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)N[C@@H](CO)C[S@@](=O)CSC; CSC[S@](=O)C[C@H](CO)NC(=O)/C=C/C1=C(C)NC(=O)NC1=O; CC1=C(C(=O)NC(=O)N1)C=CC(=O)NC(CO)CS(=O)CSC |
Name: | SPARSOMYCIN |
ChEMBL: | CHEMBL105720 |
DrugBank: | DB04222 |
ZINC: | ZINC000004742520 |