CID 7010606

N-alpha-(t-butyloxycarbonyl)-n-alpha-methyl-l-glutamic acid gamma-benzyl ester

Structural Information

Molecular Formula
C18H25NO6
SMILES
CC(C)(C)OC(=O)N(C)[C@@H](CCC(=O)OCC1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C18H25NO6/c1-18(2,3)25-17(23)19(4)14(16(21)22)10-11-15(20)24-12-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3,(H,21,22)/t14-/m0/s1
InChIKey
NEJPFSNBCOTZHN-AWEZNQCLSA-N
Compound name
(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxo-5-phenylmethoxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

351.16818 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.175456 182.6
[M+Na]+ 374.157398 185.0
[M-H]- 350.160904 185.2
[M+NH4]+ 369.202003 194.7
[M+K]+ 390.131338 186.0
[M+H-H2O]+ 334.165440 175.4
[M+HCOO]- 396.166381 200.7
[M+CH3COO]- 410.182031 215.1
[M+Na-2H]- 372.142846 181.9
[M]+ 351.16763142 187.7
[M]- 351.16872858 187.7
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