kocurin

More details:

• Systematic name

  N-{2-[({2-[(6S,12S,15R,19S,26S)-26-(2-Amino-2-oxoethyl)-19-benzyl-12-(4-hydroxybenzyl)-30-methyl-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}-L-alanyl-N-{3-[(3-amino -3-oxo-1-propen-2-yl)amino]-3-oxo-1-propen-2-yl}-L-prolinamide

• SMILES

  Cc1c2nc(o1)-c3ccc(nc3-c4csc(n4)-c5csc(n5)[C@@H]6CCCN6C(=O)[C@@H](NC(=O)[C@@H]7CSC(=N7)[C@@H](NC(=O)c8csc(n8)[C@@H](NC2=O)CC(=O)N)Cc9ccccc9)Cc1ccc(cc1)O)c1nc(cs1)C(=O)NC(=C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NC(=C)C(=O)NC(=C)C(=O)N

• Std. InChi

  InChI=1S/C69H66N18O13S5/c1-31(54(71)90)72-55(91)33(3)74-60(96)49-13-9-21-86(49)68(98)34(4)75-56(92)32(2)73-57(93)45-27-102-63(81-45)40-20-19-39-53(76-40)44-26-101-66(80-44)48-30-105-67(84-48)50-14-10-22-87(50)69(99)43(24-37-15-17-38(88)18-16-37)79-59(95)47-29-103-64(82-47)41(23-36-11-7-6-8-12-36)77-58(94)46-28-104-65(83-46)42(25-51(70)89)78-61(97)52-35(5)100-62(39)85-52/h6-8,11-12,15-20,26-28,30,34,41-43,47,49-50,88H,1-3,9-10,13-14,21-25,29H2,4-5H3,(H2,70,89)(H2,71,90)(H,72,91)(H,73,93)(H,74,96)(H,75,92)(H,77,94)(H,78,97)(H,79,95)/t34-,41-,42-,43-,47-,49-,50-/m0/s1

• Std. InChIKey

  WWWYMYPACSXBTM-GVYUJTEBSA-N

• Cite this record

  CSID:29215512, http://www.chemspider.com/Chemical-Structure.29215512.html (accessed 21:19, May 1, 2024)