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- Double-bond stereo
- 9 of 9 defined stereocentres
(2Z,5S,8S,11R,15S,18S,19S,22R)-2-ethylidene-15-(3-guanidinopropyl)-8-isopentyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-5,19-dimethyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
O=C2N[C@@H](C(=O)O)CC(=O)N[C@H](C(=O)N[C@@H](\C=C\C(=C\[C@H](C)[C@@H](OC)Cc1ccccc1)C)[C@@H](C(=O)N[C@@H](C(=O)O)CCC(=O)N/C(C(=O)N[C@H](C(=O)N[C@H]2CCC(C)C)C)=C\C)C)CCC/N=C(\N)N
InChI=1S/C49H74N10O12/c1-9-33-44(64)53-31(7)43(63)57-36(19-17-27(2)3)46(66)59-38(48(69)70)26-41(61)55-35(16-13-23-52-49(50)51)45(65)56-34(30(6)42(62)58-37(47(67)68)21-22-40(60)54-33)20-18-28(4)24-29(5)39(71-8)25-32-14-11-10-12-15-32/h9-12,14-15,18,20,24,27,29-31,34-39H,13,16-17,19,21-23,25-26H2,1-8H3,(H,53,64)(H,54,60)(H,55,61)(H,56,65)(H,57,63)(H,58,62)(H,59,66)(H,67,68)(H,69,70)(H4,50,51,52)/b20-18+,28-24+,33-9-/t29-,30-,31-,34-,35-,36-,37+,38+,39-/m0/s1
UJXOFCVEZJEEPR-RCMVDOEHSA-N
CSID:8685600, http://www.chemspider.com/Chemical-Structure.8685600.html (accessed 11:01, 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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