Analyte Name

(3R) Blasticidin S Hydrochloride

CAS Number

1217480-69-7

Molecular Formula

C17 H26 N8 O5 . HCl

Molecular Weight

458.89988

Accurate Mass

458.1793

SMILES

O=C1N([C@@H]2O[C@H](C(O)=O)[C@@H](NC(C[C@@H](CCN(C(=N)N)C)N)=O)C=C2)C=CC(N)=N1.Cl

InChI

InChI=1S/C17H26N8O5.ClH/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29;/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29);1H/t9-,10+,13-,14+;/m1./s1

IUPAC

(2S,3S,6R)-6-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-((R)-3-amino-5-(1-methylguanidino)pentanamido)-3,6-dihydro-2H-pyran-2-carboxylic acid hydrochloride

Alternate CAS Number

1217599-11-5

Country of Origin

CANADA

Product Format

Neat