- 10 of 10 defined stereocentres
N-Acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N~5~-carbamoyl-D-ornithyl-L-norleucyl-L-arginyl-L-prolyl-D-alaninamide
[H]/N=C(\N)/NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N)NC(=O)[C@H](CCCC)NC(=O)[C@@H](CCCNC(=O)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc3cccnc3)NC(=O)[C@@H](Cc4ccc(cc4)Cl)NC(=O)[C@@H](Cc5ccc6ccccc6c5)NC(=O)C
InChI=1S/C70H92ClN17O14/c1-4-5-15-50(61(94)83-52(17-10-30-77-69(73)74)68(101)88-32-11-18-58(88)67(100)79-40(2)59(72)92)81-60(93)51(16-9-31-78-70(75)102)82-63(96)54(35-43-22-27-49(91)28-23-43)86-66(99)57(39-89)87-65(98)56(37-45-12-8-29-76-38-45)85-64(97)55(34-42-20-25-48(71)26-21-42)84-62(95)53(80-41(3)90)36-44-19-24-46-13-6-7-14-47(46)33-44/h6-8,12-14,19-29,33,38,40,50-58,89,91H,4-5,9-11,15-18,30-32,34-37,39H2,1-3H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,93)(H,82,96)(H,83,94)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102)/t40-,50+,51-,52+,53-,54+,55-,56-,57+,58+/m1/s1
LSHRFUPCJCONQB-GYMZNMSMSA-N
CSID:17326027, http://www.chemspider.com/Chemical-Structure.17326027.html (accessed 10:19, Mar 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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