Entecavir-(S)-Methylethyl Carboxylic Acid

Analyte Name

Entecavir-(S)-Methylethyl Carboxylic Acid

CAS Number

1415118-52-3

Molecular Formula

C15 H19 N5 O5

Molecular Weight

349.342

Accurate Mass

349.139

SMILES

C[C@H](NC1=Nc2c(ncn2[C@H]3C[C@H](O)[C@@H](CO)C3=C)C(=O)N1)C(=O)O

InChI

InChI=1S/C15H19N5O5/c1-6-8(4-21)10(22)3-9(6)20-5-16-11-12(20)18-15(19-13(11)23)17-7(2)14(24)25/h5,7-10,21-22H,1,3-4H2,2H3,(H,24,25)(H2,17,18,19,23)/t7-,8-,9-,10-/m0/s1

IUPAC

(2S)-2-[[9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-6-oxo-1H-purin-2-yl]amino]propanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat