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]+ 394.17613 192.8
[M+Na]+ 416.15807 194.9
[M-H]- 392.16157 196.0
[M+NH4]+ 411.20267 202.2
[M+K]+ 432.13201 190.9
[M+H-H2O]+ 376.16611 183.9
[M+HCOO]- 438.16705 210.4
[M+CH3COO]- 452.18270 221.7
[M+Na-2H]- 414.14352 192.4
[M]+ 393.16830 191.8
[M]- 393.16940 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.