VIOMYCIN ALPHA-AMINOBENZYLPENICILLINATE

23248-88-6

MFCD01750947

C25 H43 N13 O10 . 3 C16 H19 N3 O4 S

1733.92

InChI=1S/C25H43N13O10.3C16H19N3O4S/c26-3-1-2-10(27)4-16(41)32-12-6-30-23(47)18(11-5-17(42)37-24(28)36-11)38-20(44)13(7-31-25(29)48)33-21(45)14(8-39)35-22(46)15(9-40)34-19(12)43;3*1-16(2)11(15(22)23)19-12(10(20)14(19)24-16)18-13(21)9(17)8-6-4-3-5-7-8/h7,10-12,14-15,17-18,39-40,42H,1-6,8-9,26-27H2,(H,30,47)(H,32,41)(H,33,45)(H,34,43)(H,35,46)(H,38,44)(H3,28,36,37)(H3,29,31,48);3*3-7,9,11-12,14H,17H2,1-2H3,(H,18,21)(H,22,23)/b13-7-;;;/t10-,11+,12-,14-,15-,17-,18-;3*9-,11+,12-,14-/m0111/s1

InChIKey=FUMFWHBFEVVLOZ-REWIIMCSSA-N

CC1([C@@H](N2[C@H](C(=O)[C@H]2S1)NC(=O)[C@@H](c3ccccc3)N)C(=O)O)C.CC1([C@@H](N2[C@H](C(=O)[C@H]2S1)NC(=O)[C@@H](c3ccccc3)N)C(=O)O)C.CC1([C@@H](N2[C@H](C(=O)[C@H]2S1)NC(=O)[C@@H](c3ccccc3)N)C(=O)O)C.C1[C@@H](N=C(N[C@H]1O)N)[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=C\NC(=O)N)/C(=O)N2)CO)CO)NC(=O)C[C@H](CCCN)N

H bond donor:15

H bond acceptor:23

XLogP3:-11.0

Bulk/Fine:F