CID 460313

H-ser-phe-leu-thr-oh

Structural Information

Molecular Formula
C22H34N4O7
SMILES
CC(C)CC(C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)N
InChI
InChI=1S/C22H34N4O7/c1-12(2)9-16(21(31)26-18(13(3)28)22(32)33)25-20(30)17(24-19(29)15(23)11-27)10-14-7-5-4-6-8-14/h4-8,12-13,15-18,27-28H,9-11,23H2,1-3H3,(H,24,29)(H,25,30)(H,26,31)(H,32,33)
InChIKey
WSCGPOGFLVXHOT-UHFFFAOYSA-N
Compound name
2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.24274 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.25002 213.1
[M+Na]+ 489.23196 208.1
[M-H]- 465.23546 210.1
[M+NH4]+ 484.27656 206.7
[M+K]+ 505.20590 210.4
[M+H-H2O]+ 449.24000 204.3
[M+HCOO]- 511.24094 187.1
[M+CH3COO]- 525.25659 243.5
[M+Na-2H]- 487.21741 202.6
[M]+ 466.24219 208.7
[M]- 466.24329 208.7
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

No patent data available for this compound.