CID 4369395

Lys-trp

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1133
Patents

332.18484 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.19212 178.4
[M+Na]+ 355.17406 181.0
[M-H]- 331.17756 177.6
[M+NH4]+ 350.21866 190.3
[M+K]+ 371.14800 177.3
[M+H-H2O]+ 315.18210 170.4
[M+HCOO]- 377.18304 196.9
[M+CH3COO]- 391.19869 213.5
[M+Na-2H]- 353.15951 177.6
[M]+ 332.18429 175.5
[M]- 332.18539 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