CID 473877

Ac-lva-ile-amp

Structural Information

Molecular Formula
C26H44N4O4
SMILES
CC[C@H](C)[C@@H](C(=O)NCC1=CC=CC=N1)NC(=O)[C@@H](C[C@@H]([C@H](CC(C)C)NC(=O)C)O)C(C)C
InChI
InChI=1S/C26H44N4O4/c1-8-18(6)24(26(34)28-15-20-11-9-10-12-27-20)30-25(33)21(17(4)5)14-23(32)22(13-16(2)3)29-19(7)31/h9-12,16-18,21-24,32H,8,13-15H2,1-7H3,(H,28,34)(H,29,31)(H,30,33)/t18-,21-,22-,23-,24-/m0/s1
InChIKey
NNDSYVALKMYBFU-NHKCCNDQSA-N
Compound name
(2S,4S,5S)-5-acetamido-4-hydroxy-7-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-yloctanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.33624 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.34352 224.7
[M+Na]+ 499.32546 220.1
[M-H]- 475.32896 223.2
[M+NH4]+ 494.37006 228.5
[M+K]+ 515.29940 220.6
[M+H-H2O]+ 459.33350 215.4
[M+HCOO]- 521.33444 235.7
[M+CH3COO]- 535.35009 249.9
[M+Na-2H]- 497.31091 213.7
[M]+ 476.33569 224.4
[M]- 476.33679 224.4
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.