Analyte Name

(2S)-1-((2S)-2-(((2S)-3-carboxy-2-(((2S)-4-methyl-2-((2-(4-((2-methylphenyl)carbamoylamino)phenyl)acetyl)amino)pentanoyl)amino)propanoyl)amino)-3-methylbutanoyl)pyrrolidine-2-carboxylic acid

CAS Number

187735-94-0

Molecular Formula

C36 H48 N6 O9

Molecular Weight

708.801

Accurate Mass

708.348

SMILES

CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)O

InChI

InChI=1S/C36H48N6O9/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,

IUPAC

(2S)-1-[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-4-methyl-2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat