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- 9 of 10 defined stereocentres
5-Oxo-L-prolyl-3-(4H-imidazol-4-yl)-L-alanyl-L-tryptophyl-L-seryl-L-tyrosyl-D-leucyl-L-leucyl-N~5~-(diaminomethylene)-L-ornithyl-N-ethyl-L-prolinamide
CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2C=CC=CC=21)NC(=O)[C@H](CC1C=NC=N1)NC(=O)[C@@H]1CCC(=O)N1
InChI=1S/C59H84N16O12/c1-6-63-57(86)48-14-10-22-75(48)58(87)41(13-9-21-64-59(60)61)68-51(80)42(23-32(2)3)69-52(81)43(24-33(4)5)70-53(82)44(25-34-15-17-37(77)18-16-34)71-56(85)47(30-76)74-54(83)45(26-35-28-65-39-12-8-7-11-38(35)39)72-55(84)46(27-36-29-62-31-66-36)73-50(79)40-19-20-49(78)67-40/h7-8,11-12,15-18,28-29,31-33,36,40-48,65,76-77H,6,9-10,13-14,19-27,30H2,1-5H3,(H,63,86)(H,67,78)(H,68,80)(H,69,81)(H,70,82)(H,71,85)(H,72,84)(H,73,79)(H,74,83)(H4,60,61,64)/t36?,40-,41-,42-,43+,44-,45-,46-,47-,48-/m0/s1
ZXQLTZNHAIDYIE-BHLSKMQCSA-N
CSID:5254077, http://www.chemspider.com/Chemical-Structure.5254077.html (accessed 16:15, May 19, 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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