Analyte Name

(2S)-2-((2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-(4H-imidazol-4-ylmethylamino)benzoyl)amino)-4-methylpentanoic acid

Molecular Formula

C27 D7 H21 N4 O3

Molecular Weight

463.579

Accurate Mass

463.26

SMILES

[2H]c1c([2H])c([2H])c2c(c([2H])c([2H])c([2H])c2c1[2H])c3cc(NCC4C=NC=N4)ccc3C(=O)N[C@@H](CC(C)C)C(=O)O

InChI

InChI=1S/C27H28N4O3/c1-17(2)12-25(27(33)34)31-26(32)23-11-10-19(29-15-20-14-28-16-30-20)13-24(23)22-9-5-7-18-6-3-4-8-21(18)22/h3-11,13-14,16-17,20,25,29H,12,15H2,1-2H3,(H,31,32)(H,33,34)/t20?,25-/m0/s1/i3D,4D,5D,6D,7D,8D,9D

IUPAC

(2S)-2-[[2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-(4H-imidazol-4-ylmethylamino)benzoyl]amino]-4-methylpentanoic acid

Unlabelled CAS Number

191102-79-1

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat