Mohangamide A

More details:

• Systematic name

  (2E)-N-[(3S,6S,9S,12R,15S,18E,21S,22R,25S,28S,31S,34R,37S,40E,43S,44R)-6,28-Bis(2-amino-2-oxoethyl)-12,34-dibenzyl-18,40-bis(4-hydroxybenzylidene)-9,31-bis[(1S)-1-hydroxyethyl]-3,25-bis(hydroxymethyl) -15,37-diisobutyl-19,22,41,44-tetramethyl-2,5,8,11,14,17,20,24,27,30,33,36,39,42-tetradecaoxo-43-({(3E)-3-[(3S)-3-[(1Z)-1-penten-1-yl]-2,3-dihydro-4(1H)-pyridinylidene]propanoyl}amino)-1,23-dioxa-4,7, 10,13,16,19,26,29,32,35,38,41-dodecaazacyclotetratetracontan-21-yl]-3-{2-[(1Z)-1-penten-1-yl]phenyl}acrylamide

• SMILES

  CCC/C=C\c1ccccc1/C=C/C(=O)N[C@H]2[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)/C(=C\c3ccc(cc3)O)/N(C(=O)[C@H]([C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)/C(=C\c4ccc(cc4)O)/N(C2=O)C)CC(C)C)Cc5ccccc5)[C@H](C)O)CC(=O)N)CO)C)NC(=O)C/C=C\6/C=CNC[C@H]6/C=C\CCC)C)CC(C)C)Cc7ccccc7)[C@H](C)O)CC(=O)N)CO)C

• Std. InChi

  InChI=1S/C107H139N17O26/c1-13-15-19-31-70-32-25-26-33-71(70)39-45-88(133)119-92-64(9)149-106(147)82(58-125)117-96(137)80(55-86(108)131)115-102(143)90(62(7)127)121-99(140)79(52-67-29-23-18-24-30-67)112-95(136)77(50-61(5)6)114-101(142)85(54-69-37-43-75(130)44-38-69)124(12)105(146)93(120-89(134)46-40-72-47-48-110-57-73(72)34-20-16-14-2)65(10)150-107(148)83(59-126)118-97(138)81(56-87(109)132)116-103(144)91(63(8)128)122-98(139)78(51-66-27-21-17-22-28-66)111-94(135)76(49-60(3)4)113-100(141)84(123(11)104(92)145)53-68-35-41-74(129)42-36-68/h17-45,47-48,53-54,60-65,73,76-83,90-93,110,125-130H,13-16,46,49-52,55-59H2,1-12H3,(H2,108,131)(H2,109,132)(H,111,135)(H,112,136)(H,113,141)(H,114,142)(H,115,143)(H,116,144)(H,117,137)(H,118,138)(H,119,133)(H,120,134)(H,121,140)(H,122,139)/b31-19-,34-20-,45-39+,72-40-,84-53+,85-54+/t62-,63-,64+,65+,73+,76-,77-,78+,79+,80-,81-,82-,83-,90-,91-,92-,93-/m0/s1

• Std. InChIKey

  NFKJWNZPLBEZNG-BMVAUADASA-N

• Cite this record

  CSID:34485667, http://www.chemspider.com/Chemical-Structure.34485667.html (accessed 19:25, Jun 1, 2024)