CID 11442741

J-2156

Structural Information

Molecular Formula
C24H28N4O4S
SMILES
CC1=CC=C(C2=CC=CC=C12)S(=O)(=O)N[C@@H](CCN)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N
InChI
InChI=1S/C24H28N4O4S/c1-16-11-12-22(19-10-6-5-9-18(16)19)33(31,32)28-20(13-14-25)24(30)27-21(23(26)29)15-17-7-3-2-4-8-17/h2-12,20-21,28H,13-15,25H2,1H3,(H2,26,29)(H,27,30)/t20-,21-/m0/s1
InChIKey
VTNCZBXJSGKDLS-SFTDATJTSA-N
Compound name
(2S)-4-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-[(4-methylnaphthalen-1-yl)sulfonylamino]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

5
Patents

468.18314 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.19042 206.4
[M+Na]+ 491.17236 212.7
[M+NH4]+ 486.21696 210.1
[M+K]+ 507.14630 207.3
[M-H]- 467.17586 209.4
[M+Na-2H]- 489.15781 211.1
[M]+ 468.18259 208.0
[M]- 468.18369 208.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe