CID 10253669

Ginseng tetrapeptide

Structural Information

Molecular Formula
C18H33N7O7
SMILES
CC(C)[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(=O)O)N
InChI
InChI=1S/C18H33N7O7/c1-9(2)14(19)16(30)25-11(17(31)32)5-6-12(26)24-10(4-3-7-22-18(20)21)15(29)23-8-13(27)28/h9-11,14H,3-8,19H2,1-2H3,(H,23,29)(H,24,26)(H,25,30)(H,27,28)(H,31,32)(H4,20,21,22)/t10-,11+,14-/m0/s1
InChIKey
LTKLLKUVWGIOLS-WDMOLILDSA-N
Compound name
(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-[[(2S)-1-(carboxymethylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.24414 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.25142 195.1
[M+Na]+ 482.23336 212.6
[M-H]- 458.23686 213.7
[M+NH4]+ 477.27796 200.8
[M+K]+ 498.20730 202.4
[M+H-H2O]+ 442.24140 193.3
[M+HCOO]- 504.24234 175.5
[M+CH3COO]- 518.25799 253.7
[M+Na-2H]- 480.21881 190.9
[M]+ 459.24359 176.8
[M]- 459.24469 176.8
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.