Analyte Name

Amastatin Hydrochloride

CAS Number

100938-10-1

Molecular Formula

C21H39ClN4O8

Molecular Weight

511.01

Accurate Mass

510.25

SMILES

O=C(O)C[C@@H](C(O)=O)NC([C@H](C(C)C)NC([C@H](C(C)C)NC([C@@H](O)[C@H](N)CC(C)C)=O)=O)=O.Cl

InChI

InChI=1S/C21H38N4O8.ClH/c1-9(2)7-12(22)17(28)20(31)25-16(11(5)6)19(30)24-15(10(3)4)18(29)23-13(21(32)33)8-14(26)27;/h9-13,15-17,28H,7-8,22H2,1-6H3,(H,23,29)(H,24,30)(H,25,31)(H,26,27)(H,32,33);1H/t12-,13+,15+,16+,17+;/m1./s1

IUPAC

((2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl)-L-valyl-L-valyl-L-aspartic acid hydrochloride

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat