CID 25176542

L-glutaminyl-l-tryptophan

Structural Information

Molecular Formula
C16H20N4O4
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)N)N
InChI
InChI=1S/C16H20N4O4/c17-11(5-6-14(18)21)15(22)20-13(16(23)24)7-9-8-19-12-4-2-1-3-10(9)12/h1-4,8,11,13,19H,5-7,17H2,(H2,18,21)(H,20,22)(H,23,24)/t11-,13-/m0/s1
InChIKey
ZQFAGNFSIZZYBA-AAEUAGOBSA-N
Compound name
(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

571
Patents

332.14847 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.15575 176.2
[M+Na]+ 355.13769 179.0
[M-H]- 331.14119 175.7
[M+NH4]+ 350.18229 187.8
[M+K]+ 371.11163 176.3
[M+H-H2O]+ 315.14573 168.4
[M+HCOO]- 377.14667 194.3
[M+CH3COO]- 391.16232 213.2
[M+Na-2H]- 353.12314 174.8
[M]+ 332.14792 173.0
[M]- 332.14902 173.0
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

patents stripe