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- 11 of 13 defined stereocentres
N-(3-Hydroxy-14-methylpentadecanoyl)-L-alpha-glutamyl-N-[(4S,7R,10S,13S,19R,22S,25R,28S)-10-(3-amino-3-oxopropyl)-4-[(2S)-2-butanyl]-22-(2-carboxyethyl)-19-ethyl-7-(4-hydroxybenzyl)-25-[(1S)-1-hydroxy ethyl]-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)C)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@@H](C)CC)Cc4ccc(O)cc4)CCC(=O)N)CC)CCC(=O)O)C(O)C)CCCN
InChI=1S/C73H112N12O20/c1-7-43(5)62-73(104)105-49-29-25-46(26-30-49)40-56(81-64(95)51(21-17-37-74)78-65(96)52(32-35-60(91)92)76-59(90)41-48(88)20-16-14-12-10-9-11-13-15-19-42(3)4)69(100)84-63(44(6)86)71(102)80-54(33-36-61(93)94)66(97)77-50(8-2)72(103)85-38-18-22-57(85)70(101)79-53(31-34-58(75)89)67(98)82-55(68(99)83-62)39-45-23-27-47(87)28-24-45/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+/m0/s1
ZKWWUFCVOMZIEY-DVXGCGLSSA-N
CSID:9117530, http://www.chemspider.com/Chemical-Structure.9117530.html (accessed 03:17, Jul 2, 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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