Try beta.chemspider
- Double-bond stereo
- 9 of 9 defined stereocentres
(2Z,5R,8S,11R,15S,18S,19S,22R)-15-(3-Carbamimidamidopropyl)-2-ethylidene-8-[2-(4-hydroxyphenyl)ethyl]-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
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)CCc3ccc(O)cc3)C(O)=O
InChI=1S/C52H72N10O13/c1-7-36-47(68)56-32(5)46(67)60-39(22-18-33-16-19-35(63)20-17-33)49(70)62-41(51(73)74)28-44(65)58-38(14-11-25-55-52(53)54)48(69)59-37(31(4)45(66)61-40(50(71)72)23-24-43(64)57-36)21-15-29(2)26-30(3)42(75-6)27-34-12-9-8-10-13-34/h7-10,12-13,15-17,19-21,26,30-32,37-42,63H,11,14,18,22-25,27-28H2,1-6H3,(H,56,68)(H,57,64)(H,58,65)(H,59,69)(H,60,67)(H,61,66)(H,62,70)(H,71,72)(H,73,74)(H4,53,54,55)/b21-15+,29-26+,36-7-/t30-,31-,32+,37-,38-,39-,40+,41+,42-/m0/s1
VRSPDCJDWOZKSK-ZWNPEXSNSA-N
CSID:10269493, http://www.chemspider.com/Chemical-Structure.10269493.html (accessed 09:38, May 11, 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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