CID 73512

Z-pro-val-oh

Structural Information

Molecular Formula
C18H24N2O5
SMILES
CC(C)[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C18H24N2O5/c1-12(2)15(17(22)23)19-16(21)14-9-6-10-20(14)18(24)25-11-13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,6,9-11H2,1-2H3,(H,19,21)(H,22,23)/t14-,15-/m0/s1
InChIKey
RMPUPQMKXGKXSG-GJZGRUSLSA-N
Compound name
(2S)-3-methyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

348.16852 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.175796 183.0
[M+Na]+ 371.157738 184.3
[M-H]- 347.161244 186.0
[M+NH4]+ 366.202343 194.5
[M+K]+ 387.131678 183.2
[M+H-H2O]+ 331.165780 174.8
[M+HCOO]- 393.166721 198.8
[M+CH3COO]- 407.182371 211.4
[M+Na-2H]- 369.143186 178.5
[M]+ 348.16797142 181.5
[M]- 348.16906858 181.5
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