CID 13458536

N-beta-benzyloxycarbonyl-n-gamma-(t-butyloxycarbonyl)-l-3,4-diaminobutyric acid

Structural Information

Molecular Formula
C17H24N2O6
SMILES
CC(C)(C)OC(=O)NC[C@H](CC(=O)O)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C17H24N2O6/c1-17(2,3)25-15(22)18-10-13(9-14(20)21)19-16(23)24-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,23)(H,20,21)/t13-/m0/s1
InChIKey
KUMMZCONPFBQTC-ZDUSSCGKSA-N
Compound name
(3S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

352.16342 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.170696 182.8
[M+Na]+ 375.152638 184.5
[M-H]- 351.156144 184.0
[M+NH4]+ 370.197243 193.8
[M+K]+ 391.126578 184.5
[M+H-H2O]+ 335.160680 175.2
[M+HCOO]- 397.161621 201.6
[M+CH3COO]- 411.177271 213.6
[M+Na-2H]- 373.138086 183.5
[M]+ 352.16287142 185.2
[M]- 352.16396858 185.2
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