CID 3059333

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

Structural Information

Molecular Formula
C20H22N4O2
SMILES
C1=CC=C(C=C1)C[C@H](C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)N)N
InChI
InChI=1S/C20H22N4O2/c21-16(10-13-6-2-1-3-7-13)20(26)24-18(19(22)25)11-14-12-23-17-9-5-4-8-15(14)17/h1-9,12,16,18,23H,10-11,21H2,(H2,22,25)(H,24,26)/t16-,18-/m1/s1
InChIKey
GVIJYQOEFGLWKI-SJLPKXTDSA-N
Compound name
(2R)-2-amino-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

350.1743 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18158 183.8
[M+Na]+ 373.16352 192.0
[M+NH4]+ 368.20812 189.1
[M+K]+ 389.13746 189.2
[M-H]- 349.16702 186.9
[M+Na-2H]- 371.14897 188.7
[M]+ 350.17375 185.3
[M]- 350.17485 185.3
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.