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]+ 393.192116 193.2
[M+Na]+ 415.174058 195.1
[M-H]- 391.177564 197.3
[M+NH4]+ 410.218663 202.9
[M+K]+ 431.147998 191.1
[M+H-H2O]+ 375.182100 183.9
[M+HCOO]- 437.183041 212.7
[M+CH3COO]- 451.198691 226.5
[M+Na-2H]- 413.159506 192.9
[M]+ 392.18429142 191.1
[M]- 392.18538858 191.1
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.