CID 9813855

Glutamylisoleucine

Structural Information

Molecular Formula
C11H20N2O5
SMILES
CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)N
InChI
InChI=1S/C11H20N2O5/c1-3-6(2)9(11(17)18)13-10(16)7(12)4-5-8(14)15/h6-7,9H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)/t6-,7-,9-/m0/s1
InChIKey
SNFUTDLOCQQRQD-ZKWXMUAHSA-N
Compound name
(2S,3S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2308
Patents

260.1372 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14448 161.5
[M+Na]+ 283.12642 163.7
[M+NH4]+ 278.17102 163.5
[M+K]+ 299.10036 164.6
[M-H]- 259.12992 156.2
[M+Na-2H]- 281.11187 158.1
[M]+ 260.13665 159.2
[M]- 260.13775 159.2
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

patents stripe