CID 89354522

Glutamyl-norvalyl-glycine

Structural Information

Molecular Formula
C12H21N3O6
SMILES
CCC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C12H21N3O6/c1-2-3-8(11(19)14-6-10(17)18)15-9(16)5-4-7(13)12(20)21/h7-8H,2-6,13H2,1H3,(H,14,19)(H,15,16)(H,17,18)(H,20,21)/t7-,8-/m0/s1
InChIKey
YNKMIZQRPMWJAL-YUMQZZPRSA-N
Compound name
(2S)-2-amino-5-[[(2S)-1-(carboxymethylamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

66
Patents

303.14304 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15032 170.6
[M+Na]+ 326.13226 170.8
[M+NH4]+ 321.17686 191.8
[M+K]+ 342.10620 172.5
[M-H]- 302.13576 164.7
[M+Na-2H]- 324.11771 166.1
[M]+ 303.14249 167.6
[M]- 303.14359 167.6
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

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