Try beta.chemspider
- Double-bond stereo
- 10 of 10 defined stereocentres
(2Z,5R,8S,11R,12S,15S,18S,19S,22R)-15-{3-[(Diaminomethylene)amino]propyl}-2-ethylidene-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-5,12,19-trimet hyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
C/C=C\1/C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](Cc2ccccc2)OC)/C)CCCN=C(N)N)C)C(=O)O)CCc3ccc(cc3)O)C
InChI=1S/C53H74N10O13/c1-8-37-48(69)57-33(6)47(68)61-40(23-19-34-17-20-36(64)21-18-34)50(71)63-44(52(74)75)32(5)46(67)60-39(15-12-26-56-53(54)55)49(70)59-38(31(4)45(66)62-41(51(72)73)24-25-43(65)58-37)22-16-29(2)27-30(3)42(76-7)28-35-13-10-9-11-14-35/h8-11,13-14,16-18,20-22,27,30-33,38-42,44,64H,12,15,19,23-26,28H2,1-7H3,(H,57,69)(H,58,65)(H,59,70)(H,60,67)(H,61,68)(H,62,66)(H,63,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-16+,29-27+,37-8-/t30-,31-,32-,33+,38-,39-,40-,41+,42-,44+/m0/s1
VVQJAFTXLBQWLK-SYDYXYRTSA-N
CSID:68911843, http://www.chemspider.com/Chemical-Structure.68911843.html (accessed 04:35, Jun 1, 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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