|
|
Molecular weight: 695.75
|
|
|
Iso. SMILES:
|
O=C1[C@@H](NC(/C(/C2=CSC(N)=N2)=N/OC(C)(C(O)=O)(CC3=CC=C(C(N)=O)C=C3)C)=O)[C@@]4([H])SCC(CNC5=CC=[NH+]C=C5)=C(C([O-])=O)N14
|
|
InChI Key:
|
LPGVZAKLWDMGAC-YEENEIFUSA-N
|
|
Can. SMILES:
|
CC(C)(CC1=CC=C(C=C1)C(=O)N)(C(=O)O)O/N=C(\C2=CSC(=N2)N)/C(=O)N[C@@H]3C(=O)N4C(=C(CNC5=CC=[NH+]C=C5)CS[C@]34[H])C(=O)[O-]
|
|
InChI:
|
InChI=1S/C30H31N8O8S2/c1-30(2,28(44)45,11-15-3-5-16(6-4-15)23(31)39)46-37-20(19-14-48-29(32)35-19)24(40)36-21-25(41)38-22(27(42)43)17(13-47-26(21)38)12-34-18-7-9-33-10-8-18/h3-10,14,21,26H,11-13H2,1-2H3,(H2,31,39)(H2,32,35)(H,33,34)(H,36,40)(H,42,43)(H,44,45)/b37-20+/t21-,26-/m1/s1
|
|