- 3 of 3 defined stereocentres
(4R)-1-[(3-Cyanophenyl)sulfonyl]-4-(cyclobutylamino)-L-prolyl-4-[(3,5-dichloroisonicotinoyl)amino]-L-phenylalanine methanesulfonate (1:1)
CS(=O)(=O)O.c1cc(cc(c1)S(=O)(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](Cc3ccc(cc3)NC(=O)c4c(cncc4Cl)Cl)C(=O)O)NC5CCC5)C#N
InChI=1S/C31H30Cl2N6O6S.CH4O3S/c32-24-15-35-16-25(33)28(24)30(41)37-21-9-7-18(8-10-21)12-26(31(42)43)38-29(40)27-13-22(36-20-4-2-5-20)17-39(27)46(44,45)23-6-1-3-19(11-23)14-34;1-5(2,3)4/h1,3,6-11,15-16,20,22,26-27,36H,2,4-5,12-13,17H2,(H,37,41)(H,38,40)(H,42,43);1H3,(H,2,3,4)/t22-,26+,27+;/m1./s1
KHZPBUGRFNTMOR-YHEIIOCHSA-N
CSID:52083442, http://www.chemspider.com/Chemical-Structure.52083442.html (accessed 22:07, Apr 18, 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
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
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