CID 5272267

Tert-butyl (2s)-2-[[4-(2-aminothiazol-4-yl)phenyl]carbamoylamino]-3-phenyl-propanoate

Structural Information

Molecular Formula
C23H26N4O3S
SMILES
CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C23H26N4O3S/c1-23(2,3)30-20(28)18(13-15-7-5-4-6-8-15)27-22(29)25-17-11-9-16(10-12-17)19-14-31-21(24)26-19/h4-12,14,18H,13H2,1-3H3,(H2,24,26)(H2,25,27,29)/t18-/m0/s1
InChIKey
LTBQPUOQQRLVFQ-SFHVURJKSA-N
Compound name
tert-butyl (2S)-2-[[4-(2-amino-1,3-thiazol-4-yl)phenyl]carbamoylamino]-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.17258 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.17986 205.4
[M+Na]+ 461.16180 208.3
[M-H]- 437.16530 213.2
[M+NH4]+ 456.20640 214.1
[M+K]+ 477.13574 204.0
[M+H-H2O]+ 421.16984 196.0
[M+HCOO]- 483.17078 221.4
[M+CH3COO]- 497.18643 232.7
[M+Na-2H]- 459.14725 204.6
[M]+ 438.17203 206.7
[M]- 438.17313 206.7
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

No patent data available for this compound.