CID 5274682

Gly-lys-phe-val-nh2

Structural Information

Molecular Formula
C22H36N6O4
SMILES
CC(C)[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)NC(=O)CN
InChI
InChI=1S/C22H36N6O4/c1-14(2)19(20(25)30)28-22(32)17(12-15-8-4-3-5-9-15)27-21(31)16(10-6-7-11-23)26-18(29)13-24/h3-5,8-9,14,16-17,19H,6-7,10-13,23-24H2,1-2H3,(H2,25,30)(H,26,29)(H,27,31)(H,28,32)/t16-,17-,19-/m0/s1
InChIKey
HYQQPSPGCIIMLE-LNLFQRSKSA-N
Compound name
(2S)-6-amino-2-[(2-aminoacetyl)amino]-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

448.27982 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.28710 213.1
[M+Na]+ 471.26904 208.7
[M-H]- 447.27254 213.1
[M+NH4]+ 466.31364 218.1
[M+K]+ 487.24298 209.4
[M+H-H2O]+ 431.27708 202.8
[M+HCOO]- 493.27802 231.1
[M+CH3COO]- 507.29367 250.7
[M+Na-2H]- 469.25449 204.5
[M]+ 448.27927 207.6
[M]- 448.28037 207.6
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.