Zervamicin A1-16
[CAS# 111908-11-3]

Identification

• Name: Zervamicin A1-16
• Synonyms: Zervamicin A1-16; Zrv-A1-16
• Molecular Formula: C₉₀H₁₃₉N₁₇O₁₉
• Molecular Weight: 1763.19
• CAS Registry Number: 111908-11-3
• SMILES: [C@@H](NC([C@H]5N(C(C(NC([C@H]4N(C(C(NC([C@@H](NC([C@H]1N(CCC1)C(C(NC([C@H](CC(C)C)NC(C(NC([C@H](C(C)C)NC([C@H]([C@H](CC)C)NC(C(NC([C@@H](NC([C@@H](NC([C@H](CC2=C[NH]C3=C2C=CC=C3)NC(=O)OC(C)(C)C)=O)[C@H](CC)C)=O)C)=O)(C)C)=O)=O)=O)(C)C)=O)=O)(C)C)=O)=O)C)=O)(C)C)=O)CCC4)=O)(C)C)=O)CCC5)=O)(C(OC)=O)CC6=CC=CC=C6
• InChI: 1S/C90H139N17O19/c1-25-51(7)66(98-70(110)60(96-84(124)126-85(11,12)13)47-56-48-91-58-38-31-30-37-57(56)58)75(115)93-54(10)68(108)100-87(16,17)80(120)99-67(52(8)26-2)76(116)97-65(50(5)6)77(117)104-86(14,15)79(119)95-59(45-49(3)4)71(111)102-89(20,21)82(122)105-42-32-39-62(105)72(112)92-53(9)69(109)101-88(18,19)81(121)107-44-34-41-64(107)74(114)103-90(22,23)83(123)106-43-33-40-63(106)73(113)94-61(78(118)125-24)46-55-35-28-27-29-36-55/h27-31,35-38,48-54,59-67,91H,25-26,32-34,39-47H2,1-24H3,(H,92,112)(H,93,115)(H,94,113)(H,95,119)(H,96,124)(H,97,116)(H,98,110)(H,99,120)(H,100,108)(H,101,109)(H,102,111)(H,103,114)(H,104,117)/t51-,52-,53-,54-,59-,60-,61-,62-,63-,64-,65-,66-,67-/m0/s1
• InChIKey: BDRNGIBQDOUEHT-LQAFYBHPSA-N