(3Z,5R,6Z,8S,9E,11R,12S,13E,15S,16Z,18S,19S,20Z,22R)-3,6,9,13,16,20-Hexahydroxy-15-(1H-indol-3-ylmethyl)-8-isobutyl-18-[(1E,3E,5S,6R)-6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-1,5,12,19-tetr amethyl-2-methylene-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

More details:

• Systematic name

  (3Z,5R,6Z,8S,9E,11R,12S,13E,15S,16Z,18S,19S,20Z,22R)-3,6,9,13,16,20-Hexahydroxy-15-(1H-indol-3-ylmethyl)-8-isobutyl-18-[(1E,3E,5S,6R)-6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-1,5,12,19-tetr amethyl-2-methylene-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

• SMILES

  CO[C@H](CC1=CC=CC=C1)[C@@H](C)\C=C(/C)\C=C\[C@@H]1N=C(O)[C@H](CC2=CNC3=CC=CC=C23)N=C(O)[C@@H](C)[C@@H](N=C(O)[C@H](CC(C)C)N=C(O)[C@@H](C)N=C(O)C(=C)N(C)C(=O)CC[C@@H](N=C(O)[C@H]1C)C(O)=O)C(O)=O C[C@H]\1[C@@H](/N=C(/[C@@H](/N=C(\[C@H]([C@@H](/N=C(\[C@@H](/N=C(/[C@H](/N=C(/C(=C)N(C(=O)CC[C@@H](/N=C1\O)C(=O)O)C)\O)C)\O)CC(C)C)/O)C(=O)O)C)/O)Cc2c[nH]c3c2cccc3)\O)/C=C/C(=C/[C@H](C)[C@@H](Cc4ccccc4)OC)/C

• Std. InChi

  InChI=1S/C54H72N8O12/c1-29(2)24-42-52(69)61-46(54(72)73)33(6)48(65)59-43(27-37-28-55-40-19-15-14-18-38(37)40)51(68)57-39(21-20-30(3)25-31(4)44(74-10)26-36-16-12-11-13-17-36)32(5)47(64)58-41(53(70)71)22-23-45(63)62(9)35(8)50(67)56-34(7)49(66)60-42/h11-21,25,28-29,31-34,39,41-44,46,55H,8,22-24,26-27H2,1-7,9-10H3,(H,56,67)(H,57,68)(H,58,64)(H,59,65)(H,60,66)(H,61,69)(H,70,71)(H,72,73)/b21-20+,30-25+/t31-,32-,33-,34+,39-,41+,42-,43-,44+,46+/m0/s1

• Std. InChIKey

  CJIASZBWXIFQMU-JCEGHRTGSA-N

• Cite this record

  CSID:59695365, http://www.chemspider.com/Chemical-Structure.59695365.html (accessed 15:10, Jun 1, 2024)