Try beta.chemspider
- 8 of 9 defined stereocentres
3-[(3S,6R,9S,12S,15R,18S,21S)-3-[(2S)-2-Butanyl]-9-(carboxymethyl)-6,15,18-triisobutyl-12-isopropyl-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan- 21-yl]propanoic acid
O=C1OC(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H]1[C@@H](C)CC)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O)CCCCCCCCCC(C)C
InChI=1S/C53H93N7O13/c1-13-35(12)46-53(72)73-36(22-20-18-16-14-15-17-19-21-30(2)3)28-42(61)54-37(23-24-43(62)63)47(66)55-38(25-31(4)5)48(67)56-39(26-32(6)7)50(69)59-45(34(10)11)52(71)58-41(29-44(64)65)49(68)57-40(27-33(8)9)51(70)60-46/h30-41,45-46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,67)(H,57,68)(H,58,71)(H,59,69)(H,60,70)(H,62,63)(H,64,65)/t35-,36?,37-,38-,39+,40+,41-,45-,46-/m0/s1
JNNXJHQKBJBXQH-RBBWHCKKSA-N
CSID:8329363, http://www.chemspider.com/Chemical-Structure.8329363.html (accessed 14:32, Jun 28, 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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