DM4-SPDB
[CAS# 1626359-62-3]

Identification

• Name: DM4-SPDB
• Molecular Formula: C₄₆H₆₃ClN₄O₁₄S₂
• Molecular Weight: 995.59
• CAS Registry Number: 1626359-62-3
• SMILES: CC1=CC=C[C@H]([C@]2(C[C@@H]([C@@H](C)[C@H]3[C@](C)([C@H](CC(=O)N(C)C4=C(C(=CC(=C4)C1)OC)Cl)OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)ON5C(=O)CCC5=O)O3)OC(=N2)O)O)OC C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)ON5C(=O)CCC5=O)C)\C)OC)(NC(=O)O2)O
• InChI: 1S/C46H63ClN4O14S2/c1-26-13-11-14-33(61-10)46(59)25-32(62-43(58)48-46)27(2)41-45(6,64-41)34(24-38(55)50(8)30-22-29(21-26)23-31(60-9)40(30)47)63-42(57)28(3)49(7)35(52)18-19-44(4,5)67-66-20-12-15-39(56)65-51-36(53)16-17-37(51)54/h11,13-14,22-23,27-28,32-34,41,59H,12,15-21,24-25H2,1-10H3,(H,48,58)/b14-11+,26-13+/t27-,28+,32+,33-,34+,41+,45+,46+/m1/s1
• InChIKey: LAVNQRWLLQGEIB-BAQPUJNESA-N