Try beta.chemspider
- Double-bond stereo
- 9 of 9 defined stereocentres
(2Z,5R,8S,11R,15S,18S,19S,22R)-15-{3-[(Diaminomethylene)amino]propyl}-2-ethylidene-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-5,19-dimethyl-8-(3-methylbutyl)-3,6,9,13,16,20, 25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
C/C(/C=C/[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCC(C)C)NC(=O)[C@@H](C)NC(=O)/C(=C/C)/NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(O)=O)C(O)=O)=C\[C@H](C)[C@H](CC1C=CC=CC=1)OC
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-BCCFPGDPSA-N
CSID:78436311, http://www.chemspider.com/Chemical-Structure.78436311.html (accessed 10:52, May 12, 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
Advertisement
Spotlight