Chemical structure(s):
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VNRX-5133 |
Canonical SMILES: | C1=CC(=C2C(=C1)C[C@H](B(O)O2)NC(=O)CC3CCC(CC3)NCCN)C(=O)O |
Isomeric SMILES: | B1([C@@H](CC2=C(O1)C(=CC=C2)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)O |
InChI: | InChI=1S/C19H28BN3O5/c21-8-9-22-14-6-4-12(5-7-14)10-17(24)23-16-11-13-2-1-3-15(19(25)26)18(13)28-20(16)27/h1-3,12,14,16,22,27H,4-11,21H2,(H,23,24)(H,25,26)/t12?,14?,16-/m1/s1 |
InChI Key: | PFZUWUXKQPRWAL-LDZOIKDWSA-N |
Cefepime |
Canonical SMILES: | C[N+]1(CCCC1)CC2=C(C(=O)[O-])N3C(=O)[C@H]([C@H]3SC2)NC(=O)/C(=N\OC)/C4=CSC(=N4)N |
Isomeric SMILES: | C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-] |
InChI: | InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/b23-12-/t13-,17-/m1/s1 |
InChI Key: | HVFLCNVBZFFHBT-ZKDACBOMSA-N |