Emerimicins
[CAS# 71812-28-7]

Identification

• Name: Emerimicins
• Synonyms: Emerimicins
• Molecular Formula: C₁₆₂H₂₄₉N₃₅O₄₁
• Molecular Weight: 3342.96
• CAS Registry Number: 71812-28-7
• SMILES: [C@@H]4(N(C(=O)C(NC(=O)[C@@H](NC(=O)[C@H]3N(C(=O)C(NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC1=C[NH]C2=C1C=CC=C2)[C@H](CC)C)CCC(=O)N)[C@H](CC)C)[C@H](O)C)(C)C)CC(C)C)(C)C)C[C@H](O)C3)CCC(=O)N)(C)C)C[C@H](O)C4)C(=O)NC(C(=O)N6[C@H](C(=O)NC(CC5=CC=CC=C5)CO)CCC6)(C)C.[C@](NC(=O)[C@@H](NC(=O)[C@H]8N(C(=O)C(NC(=O)C(NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)[C@@H](NC(=O)C)CC7=CC=CC=C7)(C)C)(C)C)(C)C)C(C)C)CC(C)C)(C)C)(C)C)C[C@H](O)C8)CCC(=O)N)(C(=O)N9[C@@H](C[C@@H](O)C9)C(=O)NCC(=O)NC(CC%10=CC=CC=C%10)CO)(CC)C
• InChI: 1S/C87H133N19O22.C75H116N16O19/c1-17-46(5)67(97-66(114)41-91-70(115)57(30-32-64(88)112)95-77(122)68(47(6)18-2)98-71(116)60(92-49(8)109)37-51-40-90-56-28-23-22-27-55(51)56)78(123)99-69(48(7)108)79(124)103-84(9,10)80(125)96-59(35-45(3)4)73(118)101-87(15,16)82(127)105-42-53(110)38-62(105)75(120)94-58(31-33-65(89)113)72(117)100-86(13,14)83(128)106-43-54(111)39-63(106)76(121)102-85(11,12)81(126)104-34-24-29-61(104)74(119)93-52(44-107)36-50-25-20-19-21-26-50;1-18-75(17,69(110)91-39-47(94)34-52(91)61(102)77-36-55(97)80-46(40-92)32-44-25-21-19-22-26-44)86-58(99)49(29-30-54(76)96)82-62(103)53-35-48(95)38-90(53)68(109)74(15,16)89-66(107)72(11,12)84-59(100)50(31-41(2)3)81-56(98)37-78-63(104)57(42(4)5)83-64(105)70(7,8)87-67(108)73(13,14)88-65(106)71(9,10)85-60(101)51(79-43(6)93)33-45-27-23-20-24-28-45/h19-23,25-28,40,45-48,52-54,57-63,67-69,90,107-108,110-111H,17-18,24,29-39,41-44H2,1-16H3,(H2,88,112)(H2,89,113)(H,91,115)(H,92,109)(H,93,119)(H,94,120)(H,95,122)(H,96,125)(H,97,114)(H,98,116)(H,99,123)(H,100,117)(H,101,118)(H,102,121)(H,103,124);19-28,41-42,46-53,57,92,94-95H,18,29-40H2,1-17H3,(H2,76,96)(H,77,102)(H,78,104)(H,79,93)(H,80,97)(H,81,98)(H,82,103)(H,83,105)(H,84,100)(H,85,101)(H,86,99)(H,87,108)(H,88,106)(H,89,107)/t46-,47-,48+,52?,53+,54+,57-,58-,59-,60-,61-,62-,63-,67-,68-,69-;46?,47-,48-,49+,50+,51+,52+,53+,57+,75+/m01/s1
• InChIKey: ULYMTCOVLNBXIE-HEXJONDASA-N