Analyte Name

Isodesmosine-d4

Molecular Formula

C24 H36 D4 N5 O8 . Cl . H2O

Molecular Weight

548.1

Accurate Mass

583.29

SMILES

O.[Cl-].[2H]c1c(CC[C@H](N)C(=O)O)c([2H])[n+](CCCC[C@H](N)C(=O)O)c(c1CC[C@H](N)C(=O)O)C([2H])([2H])CC[C@H](N)C(=O)O

InChI

InChI=1S/C24H39N5O8.ClH.H2O/c25-16(21(30)31)4-1-2-11-29-13-14(7-9-18(27)23(34)35)12-15(8-10-19(28)24(36)37)20(29)6-3-5-17(26)22(32)33;;/h12-13,16-19H,1-11,25-28H2,(H3-,30,31,32,33,34,35,36,37);1H;1H2/t16-,17-,18-,19-;;/m0../s1/i6D2,12D,13D;;

IUPAC

(2S)-2-amino-6-[2-[(4S)-4-amino-4-carboxy-1,1-dideuterio-butyl]-3,5-bis[(3S)-3-amino-3-carboxy-propyl]-4,6-dideuterio-pyridin-1-ium-1-yl]hexanoic Acid Chloride Hydrate

Unlabelled CAS Number

991-01-5

SIL Type

Deuterium, Nitrogen

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat