CID 473853

H-lva-ile-amp

Structural Information

Molecular Formula
C24H42N4O3
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)N)O)C(C)C
InChI
InChI=1S/C24H42N4O3/c1-7-17(6)22(24(31)27-14-18-10-8-9-11-26-18)28-23(30)19(16(4)5)13-21(29)20(25)12-15(2)3/h8-11,15-17,19-22,29H,7,12-14,25H2,1-6H3,(H,27,31)(H,28,30)/t17-,19-,20-,21-,22-/m0/s1
InChIKey
HPTWOPBOSJPFGD-ZONLJJFTSA-N
Compound name
(2S,4S,5S)-5-amino-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

434.32568 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.33296 215.6
[M+Na]+ 457.31490 211.9
[M-H]- 433.31840 213.8
[M+NH4]+ 452.35950 221.1
[M+K]+ 473.28884 211.6
[M+H-H2O]+ 417.32294 206.4
[M+HCOO]- 479.32388 227.1
[M+CH3COO]- 493.33953 242.2
[M+Na-2H]- 455.30035 205.3
[M]+ 434.32513 213.5
[M]- 434.32623 213.5
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.