Try beta.chemspider
- 9 of 10 defined stereocentres
[(3S,6R,9S,12S,15R,18S,21S)-21-(3-Amino-3-oxopropyl)-3,12-di[(2S)-2-butanyl]-6,15,18-triisobutyl-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-9-y l]acetic acid
C[C@@H](CC)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CC(CCCCCCCCCC(C)C)OC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)CC
InChI=1S/C54H96N8O12/c1-13-35(11)46-53(72)60-42(30-45(65)66)50(69)59-41(28-34(9)10)52(71)62-47(36(12)14-2)54(73)74-37(23-21-19-17-15-16-18-20-22-31(3)4)29-44(64)56-38(24-25-43(55)63)48(67)57-39(26-32(5)6)49(68)58-40(27-33(7)8)51(70)61-46/h31-42,46-47H,13-30H2,1-12H3,(H2,55,63)(H,56,64)(H,57,67)(H,58,68)(H,59,69)(H,60,72)(H,61,70)(H,62,71)(H,65,66)/t35-,36-,37?,38-,39-,40+,41+,42-,46-,47-/m0/s1
ZJHKSGOKZKQBNJ-VHWYPFCHSA-N
CSID:78437917, http://www.chemspider.com/Chemical-Structure.78437917.html (accessed 09:25, Jun 27, 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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