CID 122001

Fk-156

Structural Information

Molecular Formula
C20H33N5O11
SMILES
C[C@@H](C(=O)NC(CCC(=O)N[C@H](CCC[C@H](C(=O)O)N)C(=O)NCC(=O)O)C(=O)O)NC(=O)[C@@H](C)O
InChI
InChI=1S/C20H33N5O11/c1-9(23-17(31)10(2)26)16(30)25-13(20(35)36)6-7-14(27)24-12(18(32)22-8-15(28)29)5-3-4-11(21)19(33)34/h9-13,26H,3-8,21H2,1-2H3,(H,22,32)(H,23,31)(H,24,27)(H,25,30)(H,28,29)(H,33,34)(H,35,36)/t9-,10+,11+,12+,13?/m0/s1
InChIKey
RNZKYQHTFUFVSS-ZLUZDFLPSA-N
Compound name
(2R,6R)-2-amino-6-[[4-carboxy-4-[[(2S)-2-[[(2R)-2-hydroxypropanoyl]amino]propanoyl]amino]butanoyl]amino]-7-(carboxymethylamino)-7-oxoheptanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

28
References

0
Patents

519.21765 Da
Monoisotopic Mass

-5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.22493 206.3
[M+Na]+ 542.20687 218.0
[M-H]- 518.21037 224.6
[M+NH4]+ 537.25147 214.8
[M+K]+ 558.18081 211.7
[M+H-H2O]+ 502.21491 204.9
[M+HCOO]- 564.21585 181.8
[M+CH3COO]- 578.23150 254.1
[M+Na-2H]- 540.19232 247.3
[M]+ 519.21710 192.6
[M]- 519.21820 192.6
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.