CID 506716

L-leucinamide, n-[(6-hydroxy-3-pyridinyl)carbonyl]-l-valyl-l-valyl-n1-[(1s)-1-formylpropyl]-

Structural Information

Molecular Formula
C26H41N5O6
SMILES
CC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)C1=CNC(=O)C=C1
InChI
InChI=1S/C26H41N5O6/c1-8-18(13-32)28-24(35)19(11-14(2)3)29-25(36)21(15(4)5)31-26(37)22(16(6)7)30-23(34)17-9-10-20(33)27-12-17/h9-10,12-16,18-19,21-22H,8,11H2,1-7H3,(H,27,33)(H,28,35)(H,29,36)(H,30,34)(H,31,37)/t18-,19-,21-,22-/m0/s1
InChIKey
BARWVJPXVBEWAH-LGGPRVQUSA-N
Compound name
N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxobutan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.30566 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.31294 228.2
[M+Na]+ 542.29488 235.0
[M-H]- 518.29838 231.0
[M+NH4]+ 537.33948 230.0
[M+K]+ 558.26882 225.7
[M+H-H2O]+ 502.30292 219.0
[M+HCOO]- 564.30386 204.7
[M+CH3COO]- 578.31951 259.4
[M+Na-2H]- 540.28033 216.8
[M]+ 519.30511 207.7
[M]- 519.30621 207.7
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.