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- 8 of 8 defined stereocentres
N-Methylglycyl-L-arginyl-L-valyl-N-[(3R,6S,10R,12S)-12-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-3-(1H-imidazol-4-ylmethyl)-2,5-dioxo-8,9-dithia-1,4-diazabicyclo[8.2.1]tridec-6-yl]-L-tyrosinamide
CC(C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H]2CSS[C@@H]3C[C@H](N(C3)C(=O)[C@H](NC2=O)Cc4c[nH]cn4)C(=O)N[C@@H](Cc5ccccc5)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC
InChI=1S/C46H63N13O10S2/c1-25(2)38(58-39(62)31(53-37(61)21-49-3)10-7-15-51-46(47)48)43(66)54-32(16-27-11-13-29(60)14-12-27)40(63)57-35-23-70-71-30-19-36(42(65)56-34(45(68)69)17-26-8-5-4-6-9-26)59(22-30)44(67)33(55-41(35)64)18-28-20-50-24-52-28/h4-6,8-9,11-14,20,24-25,30-36,38,49,60H,7,10,15-19,21-23H2,1-3H3,(H,50,52)(H,53,61)(H,54,66)(H,55,64)(H,56,65)(H,57,63)(H,58,62)(H,68,69)(H4,47,48,51)/t30-,31+,32+,33-,34+,35-,36+,38+/m1/s1
GAWPPECSMHTNBB-ZJDLZPLCSA-N
CSID:23181074, http://www.chemspider.com/Chemical-Structure.23181074.html (accessed 05:59, Jun 1, 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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