Try beta.chemspider
- 2 of 2 defined stereocentres
- Non-standard isotope
(2S,3S)-5-[2-(Dimethylamino)ethyl]-2-[4-methoxy(2-~2~H)phenyl]-4-oxo(2,3-~2~H_2_)-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl (~2~H_3_)acetate
O=C1[C@]([C@](SC2=C(N1CCN(C)C)C=CC=C2)([2H])C3=CC=C(OC)C=C3[2H])([2H])OC(C([2H])([2H])[2H])=O [2H]C([2H])([2H])C(=O)O[C@@]1([2H])C(=O)N(CCN(C)C)C2C=CC=CC=2S[C@@]1([2H])C1=CC=C(C=C1[2H])OC
InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1/i1D3,9D,20D,21D
HSUGRBWQSSZJOP-BVZHZHIGSA-N
CSID:73989968, http://www.chemspider.com/Chemical-Structure.73989968.html (accessed 12:35, Apr 25, 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
Advertisement
Spotlight