CID 5481433

Nh2-ttpa-nh2

Structural Information

Molecular Formula
C16H28N4O7
SMILES
C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)N)O
InChI
InChI=1S/C16H28N4O7/c1-7(16(26)27)18-13(23)10-5-4-6-20(10)15(25)12(9(3)22)19-14(24)11(17)8(2)21/h7-12,21-22H,4-6,17H2,1-3H3,(H,18,23)(H,19,24)(H,26,27)/t7-,8+,9+,10-,11-,12-/m0/s1
InChIKey
UQRZXFOQJCDESK-DOUOGLJNSA-N
Compound name
(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.1958 Da
Monoisotopic Mass

-6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.20308 190.2
[M+Na]+ 411.18502 187.6
[M-H]- 387.18852 186.9
[M+NH4]+ 406.22962 197.5
[M+K]+ 427.15896 190.0
[M+H-H2O]+ 371.19306 183.0
[M+HCOO]- 433.19400 200.4
[M+CH3COO]- 447.20965 224.2
[M+Na-2H]- 409.17047 179.6
[M]+ 388.19525 183.9
[M]- 388.19635 183.9
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.