CID 5274683

Lys-phe-val-nh2

Structural Information

Molecular Formula
C20H33N5O3
SMILES
CC(C)[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)N
InChI
InChI=1S/C20H33N5O3/c1-13(2)17(18(23)26)25-20(28)16(12-14-8-4-3-5-9-14)24-19(27)15(22)10-6-7-11-21/h3-5,8-9,13,15-17H,6-7,10-12,21-22H2,1-2H3,(H2,23,26)(H,24,27)(H,25,28)/t15-,16-,17-/m0/s1
InChIKey
HAJZWFHKMBYLNN-ULQDDVLXSA-N
Compound name
(2S)-2,6-diamino-N-[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

391.25833 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.26561 200.6
[M+Na]+ 414.24755 197.9
[M-H]- 390.25105 200.8
[M+NH4]+ 409.29215 208.5
[M+K]+ 430.22149 197.5
[M+H-H2O]+ 374.25559 191.0
[M+HCOO]- 436.25653 218.9
[M+CH3COO]- 450.27218 237.6
[M+Na-2H]- 412.23300 193.3
[M]+ 391.25778 195.2
[M]- 391.25888 195.2
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

No patent data available for this compound.