Analyte Name

((2R)-2-(((2R)-2-(((2S)-2-(((2S,6R)-2,6-bis(deuteriomethyl)piperidine-1-carbonyl)amino)-4,4-dimethylpentanoyl)amino)-3-(1-methoxycarbonylindol-3-yl)propanoyl)amino)hexanoyl)oxysodium

Molecular Formula

C34 D2 H48 N5 Na O7

Molecular Weight

665.792

Accurate Mass

665.373

SMILES

[2H]C[C@@H]1CCC[C@H](C[2H])N1C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@H](Cc2cn(C(=O)OC)c3ccccc23)C(=O)N[C@H](CCCC)C(=O)O[Na]

InChI

InChI=1S/C34H51N5O7.Na/c1-8-9-16-25(31(42)43)35-29(40)26(18-23-20-38(33(45)46-7)28-17-11-10-15-24(23)28)36-30(41)27(19-34(4,5)6)37-32(44)39-21(2)13-12-14-22(39)3;/h10-11,15,17,20-22,25-27H,8-9,12-14,16,18-19H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43);/q;+1/p-1/t21-,22+,25-,26-,27+;/m1./s1/i2D,3D;

IUPAC

[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S,6R)-2,6-bis(deuteriomethyl)piperidine-1-carbonyl]amino]-4,4-dimethylpentanoyl]amino]-3-(1-methoxycarbonylindol-3-yl)propanoyl]amino]hexanoyl]oxysodium

Unlabelled CAS Number

156161-89-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat