Analyte Name

(2S,2'S)-N,N'-((S)-6-Oxo-6-(((S)-1-phenylpropan-2-yl)amino)hexane-1,5-diyl)bis(2,6-diaminohexanamide)

CAS Number

2243794-25-2

Molecular Formula

C27 H49 N7 O3

Molecular Weight

519.723

Accurate Mass

519.39

SMILES

C[C@@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC(=O)[C@@H](N)CCCCN)NC(=O)[C@@H](N)CCCCN

InChI

InChI=1S/C27H49N7O3/c1-20(19-21-11-3-2-4-12-21)33-27(37)24(34-26(36)23(31)14-6-9-17-29)15-7-10-18-32-25(35)22(30)13-5-8-16-28/h2-4,11-12,20,22-24H,5-10,13-19,28-31H2,1H3,(H,32,35)(H,33,37)(H,34,36)/t20-,22-,23-,24-/m0/s1

IUPAC

(2S)-2,6-diamino-N-[(5S)-5-[[(2S)-2,6-diaminohexanoyl]amino]-6-oxo-6-[[(2S)-1-phenylpropan-2-yl]amino]hexyl]hexanamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat