VIOMYCIN BENZYLPENICILLINATE

23405-54-1

MFCD01750955

C25 H43 N13 O10 . 3 C16 H18 N2 O4 S

1688.88

InChI=1S/C25H43N13O10.3C16H18N2O4S/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)12(15(21)22)18-13(11(20)14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/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*3-7,12-14H,8H2,1-2H3,(H,17,19)(H,21,22)/b13-7-;;;/t10-,11+,12-,14-,15-,17-,18-;3*12-,13+,14+/m0000/s1

InChIKey=NCRNAYSTQNQPJO-CSOLCUMFSA-N

CC1([C@@H](N2[C@H](C(=O)[C@H]2S1)NC(=O)Cc3ccccc3)C(=O)O)C.CC1([C@@H](N2[C@H](C(=O)[C@H]2S1)NC(=O)Cc3ccccc3)C(=O)O)C.CC1([C@@H](N2[C@H](C(=O)[C@H]2S1)NC(=O)Cc3ccccc3)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

pro_donors:15

pro_acceptors:23

XLogP3:-11.0

Bulk/Fine:F