N-{3-[(3-Amino-3-oxo-1-propen-2-yl)amino]-3-oxo-1-propen-2-yl}-2-[(1R,8S,11E,15S,18S,25S,26R,35R,37S,40S,46S,53R,59S)-37-[(2R)-2-butanyl]-18-[(2R,3R)-2,3-dihydroxy-2-butanyl]-11-ethylidene-59-hydroxy- 8-[(1R)-1-hydroxyethyl]-31-[(1S)-1-hydroxyethyl]-26,40,46-trimethyl-43-methylene-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecaazano nacyclo[23.23.9.3^29,35.1^2,5.1^12,15.1^19,22.1^54,57.0^1,53.0^32,60]tetrahexaconta-2(64),4,12(63),19(62),21,29,31,33,51,54,57,60-dodecaen-51-yl]-1,3-thiazole-4-carboxamide

More details:

• Systematic name

  N-{3-[(3-Amino-3-oxo-1-propen-2-yl)amino]-3-oxo-1-propen-2-yl}-2-[(1R,8S,11E,15S,18S,25S,26R,35R,37S,40S,46S,53R,59S)-37-[(2R)-2-butanyl]-18-[(2R,3R)-2,3-dihydroxy-2-butanyl]-11-ethylidene-59-hydroxy- 8-[(1R)-1-hydroxyethyl]-31-[(1S)-1-hydroxyethyl]-26,40,46-trimethyl-43-methylene-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecaazano nacyclo[23.23.9.3~29,35~.1~2,5~.1~12,15~.1~19,22~.1~54,57~.0~1,53~.0~32,60~]tetrahexaconta-2(64),4,12(63),19(62),21,29,31,33,51,54,57,60-dodecaen-51-yl]-1,3-thiazole-4-carboxamide

• SMILES

  CCC(C)[C@H]1C(=O)N[C@H](C(=O)NC(=C)C(=O)N[C@H](C(=O)N[C@]23CCC(=N[C@H]2c4csc(n4)[C@H]([C@H](OC(=O)c5cc(c6c(n5)[C@H]([C@H](N1)C=C6)O)[C@H](C)O)C)NC(=O)c7csc(n7)[C@@H](NC(=O)[C@H]8CSC(=N8)/C(=C\C)/NC(=O)[C@@H](NC(=O)c9csc3n9)[C@@H](C)O)C(C)([C@@H](C)O)O)c1nc(cs1)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C)C

• Std. InChi

  InChI=1S/C72H85N19O18S5/c1-14-26(3)47-63(105)78-30(7)57(99)75-28(5)56(98)76-31(8)58(100)91-72-19-18-40(66-85-43(22-111-66)59(101)77-29(6)55(97)74-27(4)54(73)96)81-52(72)42-21-112-67(83-42)49(34(11)109-69(107)41-20-37(32(9)92)36-16-17-39(79-47)51(95)50(36)80-41)89-60(102)44-24-113-68(86-44)53(71(13,108)35(12)94)90-62(104)45-23-110-65(84-45)38(15-2)82-64(106)48(33(10)93)88-61(103)46-25-114-70(72)87-46/h15-17,20-22,24-26,30-35,39,45,47-49,51-53,79,92-95,108H,4-6,14,18-19,23H2,1-3,7-13H3,(H2,73,96)(H,74,97)(H,75,99)(H,76,98)(H,77,101)(H,78,105)(H,82,106)(H,88,103)(H,89,102)(H,90,104)(H,91,100)/b38-15+/t26?,30-,31-,32-,33+,34+,35+,39+,45+,47-,48-,49-,51-,52-,53+,71?,72+/m0/s1

• Std. InChIKey

  NSFFHOGKXHRQEW-CCKSCHIRSA-N

• Cite this record

  CSID:71355085, http://www.chemspider.com/Chemical-Structure.71355085.html (accessed 20:26, May 17, 2024)