Analyte Name

(2S)-2-amino-5-((1-(carboxymethylamino)-3-(1H-indol-3-ylmethylsulfanyl)-1-oxopropan-2-yl)amino)-5-oxopentanoic acid

Molecular Formula

C23H24D4FN3O4

Molecular Weight

433.51

Accurate Mass

433.23

SMILES

OC(CCCN12)C1=NC(C)=C(C([2H])([2H])C([2H])([2H])N3CCC(C(C4=C(O)C=C(F)C=C4)=O)CC3)C2=O

InChI

InChI=1S/C23H28FN3O4/c1-14-17(23(31)27-9-2-3-19(28)22(27)25-14)8-12-26-10-6-15(7-11-26)21(30)18-5-4-16(24)13-20(18)29/h4-5,13,15,19,28-29H,2-3,6-12H2,1H3/i8D2,12D2

IUPAC

3-(2-(4-(4-fluoro-2-hydroxybenzoyl)piperidin-1-yl)ethyl-1,1,2,2-d4)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one

Unlabelled CAS Number

152542-03-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat