CID 492298

Glut-asp-val-val-abu-cys-oh

Structural Information

Molecular Formula
C26H43N5O11S
SMILES
CC[C@@H](C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)CCCC(=O)O
InChI
InChI=1S/C26H43N5O11S/c1-6-14(22(37)29-16(11-43)26(41)42)28-24(39)20(12(2)3)31-25(40)21(13(4)5)30-23(38)15(10-19(35)36)27-17(32)8-7-9-18(33)34/h12-16,20-21,43H,6-11H2,1-5H3,(H,27,32)(H,28,39)(H,29,37)(H,30,38)(H,31,40)(H,33,34)(H,35,36)(H,41,42)/t14-,15-,16-,20-,21-/m0/s1
InChIKey
YDQSDVQHKWSXMX-XUHKJIGQSA-N
Compound name
5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

633.268 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 634.27528 234.4
[M+Na]+ 656.25722 245.9
[M-H]- 632.26072 252.0
[M+NH4]+ 651.30182 249.4
[M+K]+ 672.23116 244.7
[M+H-H2O]+ 616.26526 235.1
[M+HCOO]- 678.26620 202.7
[M+CH3COO]- 692.28185 275.6
[M+Na-2H]- 654.24267 270.6
[M]+ 633.26745 225.4
[M]- 633.26855 225.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.