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- 2 of 4 defined stereocentres
{[2-(2-{5-[6-(4-{2-[(2S)-1-{(2S)-2-[(Carboxymethyl)amino]-3-methylbutanoyl}-2-pyrrolidinyl]-1H-imidazol-5-yl}phenyl)thieno[3,2-b]thiophen-3-yl]-1H-benzimidazol-2-yl}-1-pyrrolidinyl)-2-oxo-1-phenylethy l]amino}acetic acid (non-preferred name)
CC(C)[C@@H](C(=O)N1CCC[C@H]1c2[nH]c(cn2)c3ccc(cc3)c4csc5c4scc5c6ccc7c(c6)nc([nH]7)C8CCCN8C(=O)C(c9ccccc9)NCC(=O)O)NCC(=O)O
InChI=1S/C47H48N8O6S2/c1-26(2)40(48-22-38(56)57)46(60)54-18-6-10-36(54)44-50-21-35(53-44)28-14-12-27(13-15-28)31-24-62-43-32(25-63-42(31)43)30-16-17-33-34(20-30)52-45(51-33)37-11-7-19-55(37)47(61)41(49-23-39(58)59)29-8-4-3-5-9-29/h3-5,8-9,12-17,20-21,24-26,36-37,40-41,48-49H,6-7,10-11,18-19,22-23H2,1-2H3,(H,50,53)(H,51,52)(H,56,57)(H,58,59)/t36-,37?,40-,41?/m0/s1
XNDDHFZKJNTAMK-JNDBSPSASA-N
CSID:34533228, http://www.chemspider.com/Chemical-Structure.34533228.html (accessed 18:18, May 16, 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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