(14R,17Z,24R,31Z)-N-[3-({3-[(3-Amino-3-oxo-1-propen-2-yl)amino]-3-oxo-1-propen-2-yl}amino)-3-oxo-1-propen-2-yl]-31-ethylidene-14-[(1R)-1-hydroxyethyl]-17-[(2R)-2-hydroxypropylidene]-24-methoxy-20,34-d imethyl-38,41-bis(methylene)-12,15,22,29,36,39-hexaoxo-19,33,43-trioxa-9,26-dithia-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]nonatetracont a-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

  (14R,17Z,24R,31Z)-N-[3-({3-[(3-Amino-3-oxo-1-propen-2-yl)amino]-3-oxo-1-propen-2-yl}amino)-3-oxo-1-propen-2-yl]-31-ethylidene-14-[(1R)-1-hydroxyethyl]-17-[(2R)-2-hydroxypropylidene]-24-methoxy-20,34-d imethyl-38,41-bis(methylene)-12,15,22,29,36,39-hexaoxo-19,33,43-trioxa-9,26-dithia-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~]nonatetracont a-1(44),2,4,6,8(49),10,18(48),20,25(47),27,32(46),34,42(45)-tridecaene-4-carboxamide

• SMILES

  CO[C@H]1NC(=O)C2N=C(OC=2C)/C(=C/[C@@H](C)O)/NC(=O)[C@H](NC(=O)C2=CSC(=N2)C2C=CC(=NC=2C2=COC(=N2)C(=C)NC(=O)C(=C)NC(=O)C2N=C(OC=2C)/C(=C/C)/NC(=O)C2=CSC1=N2)C(=O)NC(=C)C(=O)NC(=C)C(=O)NC(=C)C(N)=O)[C@@H](C)O

• Std. InChi

  InChI=1S/C54H52N16O16S2/c1-12-29-50-68-36(26(9)85-50)47(81)59-23(6)42(76)60-24(7)49-64-32(16-84-49)38-28(13-14-30(61-38)43(77)58-22(5)41(75)57-21(4)40(74)56-20(3)39(55)73)53-65-34(17-87-53)45(79)67-35(25(8)72)46(80)63-31(15-19(2)71)51-69-37(27(10)86-51)48(82)70-52(83-11)54-66-33(18-88-54)44(78)62-29/h12-19,25,35,52,71-72H,3-7H2,1-2,8-11H3,(H2,55,73)(H,56,74)(H,57,75)(H,58,77)(H,59,81)(H,60,76)(H,62,78)(H,63,80)(H,67,79)(H,70,82)/b29-12-,31-15-/t19-,25-,35-,52-/m1/s1

• Std. InChIKey

  HLGFNEKJPGHMHW-JVXNPTBMSA-N

• Cite this record

  CSID:78443188, http://www.chemspider.com/Chemical-Structure.78443188.html (accessed 14:29, Jun 3, 2024)