CID 155487962

Uv

Structural Information

Molecular Formula
C32H58N8O8
SMILES
CC[C@@H](C=O)NC(=O)[C@H](CC)NC(=O)[C@H](CC)NC(=O)[C@H](CC)NC(=O)[C@H](CC)NC(=O)[C@H](CC)NC(=O)[C@H](CC)NC(=O)[C@H](CC)N
InChI
InChI=1S/C32H58N8O8/c1-9-18(17-41)34-27(43)20(11-3)36-29(45)22(13-5)38-31(47)24(15-7)40-32(48)25(16-8)39-30(46)23(14-6)37-28(44)21(12-4)35-26(42)19(33)10-2/h17-25H,9-16,33H2,1-8H3,(H,34,43)(H,35,42)(H,36,45)(H,37,44)(H,38,47)(H,39,46)(H,40,48)/t18-,19-,20-,21-,22-,23-,24-,25-/m0/s1
InChIKey
LGRBDLGSJTZQRO-PRQSBNOCSA-N
Compound name
(2S)-2-amino-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxobutan-2-yl]amino]butan-2-yl]amino]butan-2-yl]amino]butan-2-yl]amino]butan-2-yl]amino]butan-2-yl]amino]butan-2-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

682.43774 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 683.44502 229.9
[M+Na]+ 705.42696 249.8
[M-H]- 681.43046 254.5
[M+NH4]+ 700.47156 246.9
[M+K]+ 721.40090 246.8
[M+H-H2O]+ 665.43500 239.8
[M+HCOO]- 727.43594 197.3
[M+CH3COO]- 741.45159 300.7
[M+Na-2H]- 703.41241 299.9
[M]+ 682.43719 298.6
[M]- 682.43829 298.6
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.