Try beta.chemspider
- Double-bond stereo
- 8 of 10 defined stereocentres
(5R,8S,11R,12S,15S,22R)-15-(1H-Indol-3-ylmethyl)-8-isobutyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10, 14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
O=C1N(C(C(C(=O)N([C@](C(C(C(=O)N(C(C(=O)N([C@@](C(=O)N([C@@](C(C(C([H])([H])[H])(C([H])([H])[H])[H])([H])[H])(C(=O)N([C@]([C@@](C(=O)N([C@]1(C(C=2C=3C(N(C2[H])[H])=C(C(=C(C3[H])[H])[H])[H])([H])[H])[H ])[H])(C([H])([H])[H])[H])(C(O[H])=O)[H])[H])[H])[H])(C([H])([H])[H])[H])[H])=C([H])[H])C([H])([H])[H])([H])[H])([H])[H])(C(O[H])=O)[H])[H])(C([H])([H])[H])[H])(/C(=C(/C(=C(/[C@@]([C@@](OC([H])([H])[H ])(C(C4=C(C(=C(C(=C4[H])[H])[H])[H])[H])([H])[H])[H])(C([H])([H])[H])[H])\[H])/C([H])([H])[H])\[H])/[H])[H])[H] C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)C(C(NC(=O)[C@@H](NC1=O)Cc2c[nH]c3c2cccc3)/C=C/C(=C/[C@H](C)[C@H](Cc4ccccc4)OC)/C)C)C(=O)O)C)C)CC(C)C)C(=O)O
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
CJIASZBWXIFQMU-BFWRFNGOSA-N
CSID:58163624, http://www.chemspider.com/Chemical-Structure.58163624.html (accessed 11:09, Jun 14, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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