CID 95566022

Suc-phe-gly-leu-bna

Structural Information

Molecular Formula
C31H36N4O6
SMILES
CC(C)C[C@@H](C(=O)NC1=CC2=CC=CC=C2C=C1)NC(=O)CNC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CCC(=O)O
InChI
InChI=1S/C31H36N4O6/c1-20(2)16-25(31(41)33-24-13-12-22-10-6-7-11-23(22)18-24)35-28(37)19-32-30(40)26(17-21-8-4-3-5-9-21)34-27(36)14-15-29(38)39/h3-13,18,20,25-26H,14-17,19H2,1-2H3,(H,32,40)(H,33,41)(H,34,36)(H,35,37)(H,38,39)/t25-,26-/m0/s1
InChIKey
QJMBYLVSDVLBAC-UIOOFZCWSA-N
Compound name
4-[[(2S)-1-[[2-[[(2S)-4-methyl-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

560.2635 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.27078 233.8
[M+Na]+ 583.25272 228.9
[M-H]- 559.25622 236.9
[M+NH4]+ 578.29732 234.9
[M+K]+ 599.22666 228.2
[M+H-H2O]+ 543.26076 223.1
[M+HCOO]- 605.26170 248.5
[M+CH3COO]- 619.27735 263.3
[M+Na-2H]- 581.23817 229.4
[M]+ 560.26295 232.8
[M]- 560.26405 232.8
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.