(2Z,5R,8S,11R,15S,18S,19S,22R)-15-{3-[(Diaminomethylene)amino]propyl}-2-ethylidene-8-isobutyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-5,19-dimethyl-3,6,9,13,16,20,25-hept aoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid

More details:

• Systematic name

  (2Z,5R,8S,11R,15S,18S,19S,22R)-15-(3-Carbamimidamidopropyl)-2-ethylidene-8-isobutyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-5,19-dimethyl-3,6,9,13,16,20,25-heptaoxo-1,4,7 ,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid

• SMILES

  NC(=[N@H])NCCC[C@@H]1NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)C(NC(=O)CC[C@@H](NC(=O)[C@@H](C)[C@@H](NC1=O)\C=C\C(\C)=C\[C@H](C)[C@H](Cc2ccccc2)OC)C(O)=O)=[C@H]C)CC(C)C)C(O)=O

• Std. InChi

  InChI=1S/C48H72N10O12/c1-9-32-43(63)52-30(7)42(62)57-36(22-26(2)3)45(65)58-37(47(68)69)25-40(60)54-34(16-13-21-51-48(49)50)44(64)55-33(29(6)41(61)56-35(46(66)67)19-20-39(59)53-32)18-17-27(4)23-28(5)38(70-8)24-31-14-11-10-12-15-31/h9-12,14-15,17-18,23,26,28-30,33-38H,13,16,19-22,24-25H2,1-8H3,(H,52,63)(H,53,59)(H,54,60)(H,55,64)(H,56,61)(H,57,62)(H,58,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,27-23+,32-9-/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1

• Std. InChIKey

  VDTOBYMILGRBLM-LIEPGKHHSA-N

• Cite this record

  CSID:10269494, http://www.chemspider.com/Chemical-Structure.10269494.html (accessed 23:39, May 17, 2024)