CID 454108

Tlnf(nh2)

Structural Information

Molecular Formula
C23H36N6O6
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)N)O
InChI
InChI=1S/C23H36N6O6/c1-12(2)9-16(29-23(35)19(25)13(3)30)21(33)28-17(11-18(24)31)22(34)27-15(20(26)32)10-14-7-5-4-6-8-14/h4-8,12-13,15-17,19,30H,9-11,25H2,1-3H3,(H2,24,31)(H2,26,32)(H,27,34)(H,28,33)(H,29,35)/t13-,15+,16+,17+,19+/m1/s1
InChIKey
AHPBVQCMCBODPY-LVJIXASFSA-N
Compound name
(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

492.26962 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.27690 221.4
[M+Na]+ 515.25884 215.5
[M-H]- 491.26234 213.0
[M+NH4]+ 510.30344 204.1
[M+K]+ 531.23278 219.0
[M+H-H2O]+ 475.26688 211.7
[M+HCOO]- 537.26782 179.4
[M+CH3COO]- 551.28347 258.5
[M+Na-2H]- 513.24429 209.1
[M]+ 492.26907 180.7
[M]- 492.27017 180.7
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.