CID 11385959

108787-91-3

Structural Information

Molecular Formula
C21H38N4O8
SMILES
CC(C)(C)OC(=O)N[C@@H](CCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C21H38N4O8/c1-19(2,3)31-16(28)23-13(14(26)27)11-10-12-22-15(24-17(29)32-20(4,5)6)25-18(30)33-21(7,8)9/h13H,10-12H2,1-9H3,(H,23,28)(H,26,27)(H2,22,24,25,29,30)/t13-/m0/s1
InChIKey
BGOFOVHACSQSIE-ZDUSSCGKSA-N
Compound name
(2S)-5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

215
Patents

474.26895 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.27623 206.2
[M+Na]+ 497.25817 218.8
[M+NH4]+ 492.30277 217.0
[M+K]+ 513.23211 211.6
[M-H]- 473.26167 215.8
[M+Na-2H]- 495.24362 217.2
[M]+ 474.26840 211.4
[M]- 474.26950 211.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe