CID 139211095

Boc-d-phe-pro-osu

Structural Information

Molecular Formula
C23H29N3O7
SMILES
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)ON3C(=O)CCC3=O
InChI
InChI=1S/C23H29N3O7/c1-23(2,3)32-22(31)24-16(14-15-8-5-4-6-9-15)20(29)25-13-7-10-17(25)21(30)33-26-18(27)11-12-19(26)28/h4-6,8-9,16-17H,7,10-14H2,1-3H3,(H,24,31)
InChIKey
UEXUHNFAAVSFKB-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.20056 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.20784 205.6
[M+Na]+ 482.18978 206.3
[M-H]- 458.19328 212.2
[M+NH4]+ 477.23438 213.5
[M+K]+ 498.16372 206.0
[M+H-H2O]+ 442.19782 197.4
[M+HCOO]- 504.19876 219.3
[M+CH3COO]- 518.21441 231.6
[M+Na-2H]- 480.17523 199.6
[M]+ 459.20001 205.9
[M]- 459.20111 205.9
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

No patent data available for this compound.