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- 3 of 3 defined stereocentres
- Non-standard isotope
(3S)-2-{N-[(1R)-1-Carboxy-3-phenylpropyl]-L-(2,3,3,3-~2~H_4_)alanyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid hydrate (1:1)
O.[2H]C([2H])([2H])[C@]([2H])(N[C@H](CCC1C=CC=CC=1)C(O)=O)C(=O)N1CC2=CC=CC=C2C[C@H]1C(O)=O
InChI=1S/C23H26N2O5.H2O/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-18-10-6-5-9-17(18)13-20(25)23(29)30;/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30);1H2/t15-,19+,20-;/m0./s1/i1D3,15D;
OFYSYEOWQQCPEU-KJUVPBGASA-N
CSID:107443266, http://www.chemspider.com/Chemical-Structure.107443266.html (accessed 09:32, Jun 6, 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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