CID 3059332

D-tryptophan, n-(n-acetyl-d-phenylalanyl)-

Structural Information

Molecular Formula
C22H23N3O4
SMILES
CC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C22H23N3O4/c1-14(26)24-19(11-15-7-3-2-4-8-15)21(27)25-20(22(28)29)12-16-13-23-18-10-6-5-9-17(16)18/h2-10,13,19-20,23H,11-12H2,1H3,(H,24,26)(H,25,27)(H,28,29)/t19-,20-/m1/s1
InChIKey
IFQOQFHEONRKLI-WOJBJXKFSA-N
Compound name
(2R)-2-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.16885 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.176126 192.8
[M+Na]+ 416.158068 194.9
[M-H]- 392.161574 196.0
[M+NH4]+ 411.202673 202.2
[M+K]+ 432.132008 190.9
[M+H-H2O]+ 376.166110 183.9
[M+HCOO]- 438.167051 210.4
[M+CH3COO]- 452.182701 221.7
[M+Na-2H]- 414.143516 192.4
[M]+ 393.16830142 191.8
[M]- 393.16939858 191.8
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.