Codactide
[CAS# 22572-04-9]

Identification

• Name: Codactide
• Synonyms: 41795-Ba; Ba-41795; Codactida [Inn-Spanish]
• Molecular Formula: C₁₀₁H₁₅₈N₃₀O₂₃S
• Molecular Weight: 2192.61
• CAS Registry Number: 22572-04-9
• SMILES: [C@@H]6(N(C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](N)CO)CC1=CC=C(O)C=C1)CO)CCSC)CCC(=O)O)CC2=CN=C[NH]2)CC3=CC=CC=C3)CCCNC(=N)N)CC4=C[NH]C5=C4C=CC=C5)CCCCN)CCC6)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCCN)CCCCN)CCCCN)CCCCN)C(C)C
• InChI: 1S/C101H158N30O23S/c1-58(2)84(99(153)115-54-81(135)117-68(26-10-15-40-103)88(142)120-70(28-12-17-42-105)90(144)121-69(27-11-16-41-104)89(143)119-67(85(108)139)25-9-14-39-102)130-98(152)80-31-20-45-131(80)100(154)74(29-13-18-43-106)118-82(136)53-114-87(141)77(49-61-51-113-66-24-8-7-23-64(61)66)127-91(145)71(30-19-44-112-101(109)110)122-94(148)76(47-59-21-5-4-6-22-59)126-96(150)78(50-62-52-111-57-116-62)128-92(146)72(36-37-83(137)138)123-93(147)73(38-46-155-3)124-97(151)79(56-133)129-95(149)75(125-86(140)65(107)55-132)48-60-32-34-63(134)35-33-60/h4-8,21-24,32-35,51-52,57-58,65,67-80,84,113,132-134H,9-20,25-31,36-50,53-56,102-107H2,1-3H3,(H2,108,139)(H,111,116)(H,114,141)(H,115,153)(H,117,135)(H,118,136)(H,119,143)(H,120,142)(H,121,144)(H,122,148)(H,123,147)(H,124,151)(H,125,140)(H,126,150)(H,127,145)(H,128,146)(H,129,149)(H,130,152)(H,137,138)(H4,109,110,112)/t65-,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,84+/m1/s1
• InChIKey: KXHVGPOWQPPVFU-QQLGXXNZSA-N