2-({2-[({2-[26-(2-Amino-2-oxoethyl)-19-benzyl-9-hydroxy-12-(4-hydroxybenzyl)-7,30-dimethyl-11,14,21,28-tetraoxo-31-oxa-4,17,24,41-tetrathia-10,13,20,27,37,42,43,44,45,46-decaazaoctacyclo[37.2.1.1^2,5 .1^15,18.1^22,25.1^29,32.0^6,10.0^33,38]hexatetraconta-1(42),2,5(46),18(45),22,25(44),29,32(43),33,35,37,39-dodecaen-36-yl]-1,3-thiazol-4-yl}carbonyl)amino]acryloyl}amino)acrylic acid

More details:

• Systematic name

  2-({2-[({2-[26-(2-Amino-2-oxoethyl)-19-benzyl-9-hydroxy-12-(4-hydroxybenzyl)-7,30-dimethyl-11,14,21,28-tetraoxo-31-oxa-4,17,24,41-tetrathia-10,13,20,27,37,42,43,44,45,46-decaazaoctacyclo[37.2.1.1~2,5~ .1~15,18~.1~22,25~.1~29,32~.0~6,10~.0~33,38~]hexatetraconta-1(42),2,5(46),18(45),22,25(44),29,32(43),33,35,37,39-dodecaen-36-yl]-1,3-thiazol-4-yl}carbonyl)amino]acryloyl}amino)acrylic acid

• SMILES

  Cc1c2nc(o1)-c3ccc(nc3-c4csc(n4)-c5csc(n5)C6C(CC(N6C(=O)C(NC(=O)C7CSC(=N7)C(NC(=O)c8csc(n8)C(NC2=O)CC(=O)N)Cc9ccccc9)Cc1ccc(cc1)O)O)C)c1nc(cs1)C(=O)NC(=C)C(=O)NC(=C)C(=O)O

• Std. InChi

  InChI=1S/C59H52N14O12S5/c1-25-16-43(76)73-46(25)57-71-41(24-90-57)56-67-37(20-86-56)45-32(14-15-33(63-45)53-68-38(21-87-53)48(78)61-26(2)47(77)62-27(3)59(83)84)52-72-44(28(4)85-52)51(81)65-35(19-42(60)75)55-70-39(22-89-55)49(79)64-34(17-29-8-6-5-7-9-29)54-69-40(23-88-54)50(80)66-36(58(73)82)18-30-10-12-31(74)13-11-30/h5-15,20-22,24-25,34-36,40,43,46,74,76H,2-3,16-19,23H2,1,4H3,(H2,60,75)(H,61,78)(H,62,77)(H,64,79)(H,65,81)(H,66,80)(H,83,84)

• Std. InChIKey

  AABZZWPMCAZHFC-UHFFFAOYSA-N

• Cite this record

  CSID:17293811, http://www.chemspider.com/Chemical-Structure.17293811.html (accessed 12:01, Jun 18, 2024)