Discodermin A
[CAS# 94552-47-3]

Identification

• Name: Discodermin A
• Molecular Formula: C₇₇H₁₁₆N₂₀O₂₂S
• Molecular Weight: 1705.94
• CAS Registry Number: 94552-47-3
• SMILES: [C@@H]1(CCC(=O)N)NC([C@@H](NC([C@H](NC([C@@H](N(C([C@H]([C@H](OC(CNC1=O)=O)C)NC([C@H](NC([C@@H](NC([C@@H](CC2=C[NH]C3=C2C=CC=C3)NC(=O)[C@@H](NC(=O)[C@@H](C(C)(C)C)NC(=O)[C@@H]4CCCN4C([C@H](CC5=CC=CC=C5)NC(=O)[C@H](NC=O)C)=O)C(C)(C)C)=O)CCCNC(N)=N)=O)C[S](
• InChI: 1S/C77H116N20O22S/c1-39(2)32-49-66(107)92-58(41(4)99)70(111)87-48(26-28-55(78)100)63(104)84-36-57(102)119-42(5)59(74(115)96(12)53(68(109)88-49)27-29-56(79)101)93-67(108)52(37-120(116,117)118)91-64(105)47(24-18-30-82-75(80)81)86-65(106)50(34-44-35-83-46-23
• InChIKey: TZBUSKCMYQJGRK-CFGHZUCJSA-N