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- 11 of 13 defined stereocentres
N-(3-Hydroxy-14-methylhexadecanoyl)-L-alpha-glutamyl-N-[(4S,7R,10S,13S,19R,22S,25R,28S)-10-(3-amino-3-oxopropyl)-22-(2-carboxyethyl)-19-ethyl-7-(4-hydroxybenzyl)-25-[(1R)-1-hydroxyethyl]-4-isopropyl-3 ,6,9,12,18,21,24,27-octaoxo-2-oxa-5,8,11,17,20,23,26-heptaazatricyclo[28.2.2.0~13,17~]tetratriaconta-1(32),30,33-trien-28-yl]-D-ornithinamide
O=C(O)CC[C@H](NC(=O)CC(O)CCCCCCCCCCC(C)CC)C(=O)N[C@@H](C(=O)N[C@@H]3C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)Oc2ccc(cc2)C3)C(C)C)Cc4ccc(O)cc4)CCC(=O)N)CC)CCC(=O)O)[C@H](O)C)CCCN
InChI=1S/C73H112N12O20/c1-7-43(5)19-15-13-11-9-10-12-14-16-20-48(88)41-59(90)76-52(32-35-60(91)92)65(96)78-51(21-17-37-74)64(95)81-56-40-46-25-29-49(30-26-46)105-73(104)62(42(3)4)83-68(99)55(39-45-23-27-47(87)28-24-45)82-67(98)53(31-34-58(75)89)79-70(101)57-22-18-38-85(57)72(103)50(8-2)77-66(97)54(33-36-61(93)94)80-71(102)63(44(6)86)84-69(56)100/h23-30,42-44,48,50-57,62-63,86-88H,7-22,31-41,74H2,1-6H3,(H2,75,89)(H,76,90)(H,77,97)(H,78,96)(H,79,101)(H,80,102)(H,81,95)(H,82,98)(H,83,99)(H,84,100)(H,91,92)(H,93,94)/t43?,44-,48?,50-,51-,52+,53+,54+,55-,56-,57+,62+,63-/m1/s1
UEHKVWZWAVUPHM-MLPBFFFKSA-N
CSID:9139564, http://www.chemspider.com/Chemical-Structure.9139564.html (accessed 18:55, Jul 6, 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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