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]+ 352.17546 182.6
[M+Na]+ 374.15740 185.0
[M-H]- 350.16090 185.2
[M+NH4]+ 369.20200 194.7
[M+K]+ 390.13134 186.0
[M+H-H2O]+ 334.16544 175.4
[M+HCOO]- 396.16638 200.7
[M+CH3COO]- 410.18203 215.1
[M+Na-2H]- 372.14285 181.9
[M]+ 351.16763 187.7
[M]- 351.16873 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