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- 11 of 11 defined stereocentres
N-Butyryl-L-alanyl-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-21-hydroxy-5-(4-hydroxybenzyl)-15-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]doco s-12-yl]-L-allothreoninamide
CCCC(=O)N[C@@H](C)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CC(C)C)O)Cc3ccccc3)C)Cc4ccc(cc4)O)C(C)C)C
InChI=1S/C50H72N8O13/c1-10-14-38(61)51-28(6)43(63)55-41(29(7)59)46(66)56-42-30(8)71-50(70)40(27(4)5)54-45(65)36(24-32-17-19-33(60)20-18-32)57(9)49(69)37(25-31-15-12-11-13-16-31)58-39(62)22-21-34(48(58)68)52-44(64)35(23-26(2)3)53-47(42)67/h11-13,15-20,26-30,34-37,39-42,59-60,62H,10,14,21-25H2,1-9H3,(H,51,61)(H,52,64)(H,53,67)(H,54,65)(H,55,63)(H,56,66)/t28-,29-,30+,34-,35-,36-,37-,39+,40-,41-,42-/m0/s1
UAVAEWGJORGZNS-VURJKFNOSA-N
CSID:65321349, http://www.chemspider.com/Chemical-Structure.65321349.html (accessed 02:12, Jul 4, 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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