2-({2-[({2-[(6S,7S,9S,12S,19S,26S)-26-(2-Amino-2-oxoethyl)-9-hydroxy-12-(4-hydroxybenzyl)-19-[(R)-hydroxy(phenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-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),15,18(45),22,25(44),29,32(43),33,35,37,39-tridecaen-36-yl]-1,3-thiazol-4-yl}carbonyl)a mino]acryloyl}amino)acrylic acid

More details:

• Systematic name

  2-({2-[({2-[(6S,7S,9S,12S,19S,26S)-26-(2-Amino-2-oxoethyl)-9-hydroxy-12-(4-hydroxybenzyl)-19-[(R)-hydroxy(phenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-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),15,18(45),22,25(44),29,32(43),33,35,37,39-tridecaen-36-yl]-1,3-thiazol-4-yl}carbonyl)a mino]acryloyl}amino)acrylic acid

• SMILES

  CC1SC2=NC=1C(=O)N[C@@H]([C@H](O)C1C=CC=CC=1)C1=NC(=CS1)C(=O)N[C@@H](CC1C=CC(O)=CC=1)C(=O)N1[C@@H]([C@@H](C)C[C@@H]1O)C1=NC(=CS1)C1=NC(=CS1)C1N=C(C=CC=1C1=NC(=CS1)C(=O)N[C@H]2CC(N)=O)C1=NC(=CS1)C(=O)NC(=C)C(=O)NC(=C)C(O)=O

• Std. InChi

  InChI=1S/C59H50N14O12S6/c1-24-16-41(76)73-45(24)57-70-39(23-90-57)54-66-35(19-87-54)43-31(14-15-32(63-43)53-68-36(21-88-53)48(79)61-25(2)47(78)62-26(3)59(84)85)52-67-37(20-86-52)49(80)64-33(18-40(60)75)55-72-42(27(4)91-55)51(82)71-44(46(77)29-8-6-5-7-9-29)56-69-38(22-89-56)50(81)65-34(58(73)83)17-28-10-12-30(74)13-11-28/h5-15,19-24,33-34,41,44-46,74,76-77H,2-3,16-18H2,1,4H3,(H2,60,75)(H,61,79)(H,62,78)(H,64,80)(H,65,81)(H,71,82)(H,84,85)/t24-,33-,34-,41-,44-,45-,46+/m0/s1

• Std. InChIKey

  GHYHGSDPVCUKPA-DJDYGEKWSA-N

• Cite this record

  CSID:78437336, http://www.chemspider.com/Chemical-Structure.78437336.html (accessed 06:30, Jul 3, 2024)