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- 10 of 10 defined stereocentres
N-Acetyl-2-methylalanyl-L-prolyl-L-alanyl-2-methylalanyl-2-methylalanyl-L-phenylalanyl-D-isovalyl-L-prolyl-N-[(3R,10S,20S,29S)-3,37-dihydroxy-10,20,29-triisobutyl-2,13,13,23,23,26,26-heptamethyl-4,8,1 1,14,18,21,24,27,30,34-decaoxo-5,9,12,15,19,22,25,28,31,35-decaazaheptatriacontan-2-yl]-L-alaninamide
CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)N[C@](C)(CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NC(C)(C)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NCCC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(=O)NCCO
InChI=1S/C90H150N20O22/c1-26-90(25,106-72(122)60(49-56-32-28-27-29-33-56)100-78(128)86(17,18)107-79(129)87(19,20)103-68(118)54(9)96-73(123)61-34-30-43-109(61)81(131)89(23,24)101-55(10)112)82(132)110-44-31-35-62(110)74(124)95-53(8)67(117)102-83(11,12)66(116)75(125)93-40-37-64(114)97-58(47-51(4)5)70(120)104-84(13,14)76(126)94-41-38-65(115)98-59(48-52(6)7)71(121)105-88(21,22)80(130)108-85(15,16)77(127)99-57(46-50(2)3)69(119)92-39-36-63(113)91-42-45-111/h27-29,32-33,50-54,57-62,66,111,116H,26,30-31,34-49H2,1-25H3,(H,91,113)(H,92,119)(H,93,125)(H,94,126)(H,95,124)(H,96,123)(H,97,114)(H,98,115)(H,99,127)(H,100,128)(H,101,112)(H,102,117)(H,103,118)(H,104,120)(H,105,121)(H,106,122)(H,107,129)(H,108,130)/t53-,54-,57-,58-,59-,60-,61-,62-,66-,90+/m0/s1
HWHOMWZHIGCMHZ-YUGPPKNGSA-N
CSID:78438692, http://www.chemspider.com/Chemical-Structure.78438692.html (accessed 21:39, Jun 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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