Analyte Name

Atazanavir N13-descarboxymethyl

CAS Number

1233885-61-4

Molecular Formula

C36 H50 N6 O5 . Cl H

Molecular Weight

683.28

Accurate Mass

682.361

SMILES

Cl.COC(=O)N[C@H](C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)C(C)(C)C)Cc2ccc(cc2)c3ccccn3)C(C)(C)C

InChI

InChI=1S/C36H50N6O5.ClH/c1-35(2,3)30(37)32(44)39-28(21-24-13-9-8-10-14-24)29(43)23-42(41-33(45)31(36(4,5)6)40-34(46)47-7)22-25-16-18-26(19-17-25)27-15-11-12-20-38-27;/h8-20,28-31,43H,21-23,37H2,1-7H3,(H,39,44)(H,40,46)(H,41,45);1H/t28-,29-,30+,31+;/m0./s1

IUPAC

methyl N-[(2S)-1-[2-[(2S,3S)-3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-hydroxy-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;hydrochloride

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat