- 3 of 3 defined stereocentres
(3S)-2-{N-[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]-L-alanyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid - 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide hydrochloride ( 1:1:1)
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2Cc3ccccc3C[C@H]2C(=O)O.c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2.Cl
InChI=1S/C25H30N2O5.C7H8ClN3O4S2.ClH/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30;8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5;/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30);1-2,10-11H,3H2,(H2,9,12,13);1H/t17-,21-,22-;;/m0../s1
NMCGDDQNFBAONV-NXNLSMROSA-N
CSID:21230318, http://www.chemspider.com/Chemical-Structure.21230318.html (accessed 16:23, Apr 20, 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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