CID 7360813

Z-gly-val-oh

Structural Information

Molecular Formula
C15H20N2O5
SMILES
CC(C)[C@@H](C(=O)O)NC(=O)CNC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C15H20N2O5/c1-10(2)13(14(19)20)17-12(18)8-16-15(21)22-9-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,16,21)(H,17,18)(H,19,20)/t13-/m0/s1
InChIKey
RQLYPCLOROQBGI-ZDUSSCGKSA-N
Compound name
(2S)-3-methyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

308.1372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.144476 172.7
[M+Na]+ 331.126418 174.6
[M-H]- 307.129924 173.9
[M+NH4]+ 326.171023 185.2
[M+K]+ 347.100358 174.2
[M+H-H2O]+ 291.134460 164.9
[M+HCOO]- 353.135401 192.4
[M+CH3COO]- 367.151051 207.4
[M+Na-2H]- 329.111866 171.8
[M]+ 308.13665142 172.9
[M]- 308.13774858 172.9
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

patents stripe