CID 6452501

N2-tryptophyllysine

Structural Information

Molecular Formula
C17H24N4O3
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)N
InChI
InChI=1S/C17H24N4O3/c18-8-4-3-7-15(17(23)24)21-16(22)13(19)9-11-10-20-14-6-2-1-5-12(11)14/h1-2,5-6,10,13,15,20H,3-4,7-9,18-19H2,(H,21,22)(H,23,24)/t13-,15-/m0/s1
InChIKey
DZHDVYLBNKMLMB-ZFWWWQNUSA-N
Compound name
(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2305
Patents

332.18484 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.192116 178.4
[M+Na]+ 355.174058 181.0
[M-H]- 331.177564 177.6
[M+NH4]+ 350.218663 190.3
[M+K]+ 371.147998 177.3
[M+H-H2O]+ 315.182100 170.4
[M+HCOO]- 377.183041 196.9
[M+CH3COO]- 391.198691 213.5
[M+Na-2H]- 353.159506 177.6
[M]+ 332.18429142 175.5
[M]- 332.18538858 175.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe