CID 15955864

Tat 40-44 (wt)

Structural Information

Molecular Formula
C21H40N6O7
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)N)O
InChI
InChI=1S/C21H40N6O7/c1-11(2)9-15(19(32)24-10-16(29)30)27-18(31)12(3)25-20(33)14(7-5-6-8-22)26-21(34)17(23)13(4)28/h11-15,17,28H,5-10,22-23H2,1-4H3,(H,24,32)(H,25,33)(H,26,34)(H,27,31)(H,29,30)/t12-,13+,14-,15-,17-/m0/s1
InChIKey
HDJOQTNMMYMDJP-PFFSRIRZSA-N
Compound name
2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

488.29584 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.30312 206.3
[M+Na]+ 511.28506 221.4
[M-H]- 487.28856 222.6
[M+NH4]+ 506.32966 212.8
[M+K]+ 527.25900 214.5
[M+H-H2O]+ 471.29310 204.8
[M+HCOO]- 533.29404 183.2
[M+CH3COO]- 547.30969 256.5
[M+Na-2H]- 509.27051 200.4
[M]+ 488.29529 190.1
[M]- 488.29639 190.1
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.