Labelled Ligands

Cas#: 76937-78-5(DMSO)       

Formula:  C₁₀H₄D₅NO₂        Molecular Weight: 180.21

SMILES: C1=CC=C2C(=C1)C(=CN2)CC(=O)O

Cas#: 1185057-55-9        Compound CID:  45038378

Formula:  C₃₅H₆₂D₅ClO₄        Molecular Weight: 592.39

SMILES: [2H]C([2H])(C([2H])(C([2H])([2H])Cl)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

Cas#: 76937-78-5        Compound CID:  54301591

Formula:  C₁₀H₄D₅NO₂        Molecular Weight: 180.21

IUPAC Name: 2-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)acetic acid

SMILES: C1=CC=C2C(=C1)C(=CN2)CC(=O)O

InChIKey: SEOVTRFCIGRIMH-SNOLXCFTSA-N

InChI: InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)/i1D,2D,3D,4D,6D

Cas#: 951116-89-5       

Formula:  C₁₆H₂₃D₃O₃\n        Molecular Weight: 269.39

SMILES: [2H]C([2H])([2H])OC(/C=C(C)/CC/C=C(C)/CCC1C(C)(O1)C)=O

Cas#: 64193-01-7       

Formula:  C₆H₅CH₂13CH(NH₂)CO₂H        Molecular Weight: 166.18

IUPAC Name: phenyl (2S)-2-amino(213C)propanoate

SMILES: CC(C(=O)OC1=CC=CC=C1)N

InChIKey: HCRMTRJXSDDOIK-DYQYKUGJSA-N

InChI: InChI=1S/C9H11NO2/c1-7(10)9(11)12-8-5-3-2-4-6-8/h2-7H,10H2,1H3/t7-/m0/s1/i7+1

Cas#: 1185244-58-9        Compound CID:  45040357

Formula:  C₂₀H₂₅D₅O        Molecular Weight: 291.48

IUPAC Name: (2E,4E,6E,8E)-9-[3,3-dideuterio-6,6-dimethyl-2-(trideuteriomethyl)cyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraen-1-ol

SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C

InChIKey: FPIPGXGPPPQFEQ-LHAZDGMOSA-N

InChI: InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+/i3D3,10D2

Cas#: 30926-24-0       

Formula:  CH₄D₂NO₃P        Molecular Weight: 113.05

SMILES: NC([2H])([2H])P(O)(O)=O

Cas#: 1356849-17-6        Compound CID:  46780484

Formula:  C₁₄H₁₃D₅N₂O₅        Molecular Weight: 299.33

IUPAC Name: (3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-(2,3,4,5,6-pentadeuteriophenyl)propan-2-yl]amino]-4-oxobutanoic acid

SMILES: COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N

InChIKey: IAOZJIPTCAWIRG-HEPISUNPSA-N

InChI: InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1/i2D,3D,4D,5D,6D

Cas#: 1346602-62-7        Compound CID:  71313267

Formula:  C₄H₇D₃ClNO₂        Molecular Weight: 142.6

IUPAC Name: 2-(aminomethyl)-3,3,3-trideuteriopropanoic acid;hydrochloride

SMILES: CC(CN)C(=O)O.Cl

InChIKey: CGGBOMJVYQTWRN-NIIDSAIPSA-N

InChI: InChI=1S/C4H9NO2.ClH/c1-3(2-5)4(6)7;/h3H,2,5H2,1H3,(H,6,7);1H/i1D3;

Cas#: 350818-62-1        Compound CID:  71309656

Formula:  C₇H₁₃D₃ClNO₃        Molecular Weight: 200.68

IUPAC Name: [(2R)-3-carboxy-2-hydroxypropyl]-dimethyl-(trideuteriomethyl)azanium;chloride

SMILES: C[N+](C)(C)CC(CC(=O)O)O.[Cl-]

InChIKey: JXXCENBLGFBQJM-QKBJTWEASA-N

InChI: InChI=1S/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/t6-;/m1./s1/i1D3;

Cas#: 2097561-13-0       

Formula:  C₂₆H₄₅D₇NO₇P        Molecular Weight: 528.71

SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])CCCCC/C=C\\CCCCCCCC(OC[C@@H](O)COP(OCC[N+](C)(C)C)([O-])=O)=O

Cas#: 1093659-90-5        Compound CID:  25145350

Formula:  C₂₄H₁₇D₄F₂NO₃        Molecular Weight: 413.45

IUPAC Name: (3R,4S)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-1-(2,3,5,6-tetradeuterio-4-fluorophenyl)azetidin-2-one

SMILES: C1=CC(=CC=C1C2C(C(=O)N2C3=CC=C(C=C3)F)CCC(C4=CC=C(C=C4)F)O)O

InChIKey: OLNTVTPDXPETLC-ARVCERDTSA-N

InChI: InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1/i7D,8D,9D,10D