Analyte Name

(4S)-4-(((2S)-3-carboxy-2-(((2S)-2-((2-(5-chloro-1H-indol-2-yl)acetyl)amino)-3-naphthalen-2-ylpropanoyl)amino)propanoyl)amino)-5-methoxy-5-oxopentanoic acid

CAS Number

1500080-17-0

Molecular Formula

C33 H33 Cl N4 O9

Molecular Weight

665.09

Accurate Mass

664.194

SMILES

COC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)Cc3cc4cc(Cl)ccc4[nH]3

InChI

InChI=1S/C33H33ClN4O9/c1-47-33(46)25(10-11-29(40)41)37-32(45)27(17-30(42)43)38-31(44)26(13-18-6-7-19-4-2-3-5-20(19)12-18)36-28(39)16-23-15-21-14-22(34)8-9-24(21)35-23/h2-9,12,14-15,25-27,35H,10-11,13,16-17H2,1H3,(H,36,39)(H,37,45)(H,38,44)(H,40,41)(H,42,43)/t25-,26-,27-/m0/s1

IUPAC

(4S)-4-[[(2S)-3-carboxy-2-[[(2S)-2-[[2-(5-chloro-1H-indol-2-yl)acetyl]amino]-3-naphthalen-2-ylpropanoyl]amino]propanoyl]amino]-5-methoxy-5-oxopentanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat