Efrapeptin D, 12-L-Alanine
[CAS# 131353-66-7]

Identification

• Name: Efrapeptin D, 12-L-Alanine
• Synonyms: Efrapeptin F
• Molecular Formula: C₈₂H₁₄₁N₁₈O₁₆
• Molecular Weight: 1635.13
• CAS Registry Number: 131353-66-7
• SMILES: [C@@H]2(N(C(=O)C(NC(=O)[C@H]1N(C(=O)C)CCCC1)(C)C)CCCC2)C(=O)NC(C(=O)NC(C(=O)N[C@H](C(=O)NCCC(=O)NCC(=O)NC(C(=O)NC(C(=O)N5[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@](C(=O)N[C@H](CN4C3=[N+](CCC3)CCC4)CC(C)C)(CC)C)CC(C)C)C)(C)C)CCCC5)(C)C)(C)C)CC(C)C)(C)C)(C)C
• InChI: 1S/C82H140N18O16/c1-23-82(22,73(114)86-54(44-49(2)3)48-97-40-31-39-96-38-30-35-62(96)97)93-65(106)56(46-51(6)7)87-63(104)52(8)85-69(110)76(10,11)90-67(108)58-33-26-29-43-100(58)75(116)81(20,21)95-71(112)78(14,15)89-61(103)47-84-60(102)36-37-83-64(105)55(45-50(4)5)88-70(111)77(12,13)94-72(113)79(16,17)91-68(109)59-34-25-28-42-99(59)74(115)80(18,19)92-66(107)57-32-24-27-41-98(57)53(9)101/h49-52,54-59H,23-48H2,1-22H3,(H12-,83,84,85,86,87,88,89,90,91,92,93,94,95,102,103,104,105,106,107,108,109,110,111,112,113,114)/p+1/t52-,54-,55-,56-,57-,58-,59-,82-/m0/s1
• InChIKey: HAOHIZZZBGXUNW-TYMATEDWSA-O