N-(3-Amino-3-oxo-1-propen-2-yl)-14-(1-hydroxyethyl)-31-methyl-38,41-bis(methylene)-17-[(methylsulfanyl)methyl]-12,15,22,29,36,39-hexaoxo-19,43-dioxa-9,26,33-trithia-3,13,16,23,30,37,40,45,46,47,48,49- dodecaazaheptacyclo[40.2.1.1^8,11.1^18,21.1^25,28.1^32,35.0^2,7]nonatetraconta-1(44),2,4,6,8(49),10,18(48),20,25(47),27,32(46),34,42(45)-tridecaene-4-carboxamide

More details:

• Systematic name

  N-(3-Amino-3-oxo-1-propen-2-yl)-14-(1-hydroxyethyl)-31-methyl-38,41-bis(methylene)-17-[(methylsulfanyl)methyl]-12,15,22,29,36,39-hexaoxo-19,43-dioxa-9,26,33-trithia-3,13,16,23,30,37,40,45,46,47,48,49- dodecaazaheptacyclo[40.2.1.1~8,11~.1~18,21~.1~25,28~.1~32,35~.0~2,7~]nonatetraconta-1(44),2,4,6,8(49),10,18(48),20,25(47),27,32(46),34,42(45)-tridecaene-4-carboxamide

• SMILES

  CC1c2nc(cs2)C(=O)NC(=C)C(=O)NC(=C)c3nc(co3)-c4c(ccc(n4)C(=O)NC(=C)C(=O)N)-c5nc(cs5)C(=O)NC(C(=O)NC(c6nc(co6)C(=O)NCc7nc(cs7)C(=O)N1)CSC)C(C)O

• Std. InChi

  InChI=1S/C43H40N14O11S4/c1-16(32(44)59)46-35(62)22-8-7-21-31(51-22)23-10-67-40(53-23)18(3)48-33(60)17(2)47-37(64)26-14-71-42(55-26)19(4)49-36(63)25-13-70-29(50-25)9-45-34(61)24-11-68-41(54-24)28(12-69-6)52-39(66)30(20(5)58)57-38(65)27-15-72-43(21)56-27/h7-8,10-11,13-15,19-20,28,30,58H,1-3,9,12H2,4-6H3,(H2,44,59)(H,45,61)(H,46,62)(H,47,64)(H,48,60)(H,49,63)(H,52,66)(H,57,65)

• Std. InChIKey

  OIADYYNTHJZNLB-UHFFFAOYSA-N

• Cite this record

  CSID:17298648, http://www.chemspider.com/Chemical-Structure.17298648.html (accessed 17:06, Jun 16, 2024)