Analyte Name

5-[3-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecadeuterio-1-adamantyl)carbamoyl]indazol-1-yl]pentanoic acid

Molecular Formula

C23 D15 H14 N3 O3

Molecular Weight

410.587

Accurate Mass

410.315

SMILES

[2H]C1([2H])[C@@]2([2H])C([2H])([2H])[C@@]3([2H])C([2H])([2H])[C@]1([2H])C([2H])([2H])C(NC(=O)c4nn(CCCCC(=O)O)c5ccccc45)(C3([2H])[2H])C2([2H])[2H]

InChI

InChI=1S/C23H29N3O3/c27-20(28)7-3-4-8-26-19-6-2-1-5-18(19)21(25-26)22(29)24-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-2,5-6,15-17H,3-4,7-14H2,(H,24,29)(H,27,28)/t15-,16+,17-,23?/i9D2,10D2,11D2,12D2,13D2,14D2,15D,16D,17D

IUPAC

5-[3-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecadeuterio-1-adamantyl)carbamoyl]indazol-1-yl]pentanoic acid

Unlabelled CAS Number

1630022-94-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat