CID 3059348

D-tryptophanamide, n(sup alpha)-(n-acetyl-d-phenylalanyl)-

Structural Information

Molecular Formula
C22H24N4O3
SMILES
CC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)N
InChI
InChI=1S/C22H24N4O3/c1-14(27)25-20(11-15-7-3-2-4-8-15)22(29)26-19(21(23)28)12-16-13-24-18-10-6-5-9-17(16)18/h2-10,13,19-20,24H,11-12H2,1H3,(H2,23,28)(H,25,27)(H,26,29)/t19-,20-/m1/s1
InChIKey
ZUAQAAOEMAMQHF-WOJBJXKFSA-N
Compound name
(2R)-2-acetamido-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.18484 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.19212 193.9
[M+Na]+ 415.17406 201.2
[M+NH4]+ 410.21866 198.0
[M+K]+ 431.14800 199.0
[M-H]- 391.17756 196.1
[M+Na-2H]- 413.15951 198.0
[M]+ 392.18429 194.9
[M]- 392.18539 194.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.