CID 475593

162739-42-6

Structural Information

Molecular Formula
C35H48FN5O7
SMILES
CC(C)C1=NC(=CO1)COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)[C@H](CN(CC3=CC=C(C=C3)F)NC(=O)OC(C)(C)C)O
InChI
InChI=1S/C35H48FN5O7/c1-22(2)30(39-33(44)47-21-27-20-46-32(37-27)23(3)4)31(43)38-28(17-24-11-9-8-10-12-24)29(42)19-41(40-34(45)48-35(5,6)7)18-25-13-15-26(36)16-14-25/h8-16,20,22-23,28-30,42H,17-19,21H2,1-7H3,(H,38,43)(H,39,44)(H,40,45)/t28-,29-,30-/m0/s1
InChIKey
GBXAMJUMUFKZAX-DTXPUJKBSA-N
Compound name
tert-butyl N-[(4-fluorophenyl)methyl-[(2S,3S)-2-hydroxy-3-[[(2S)-3-methyl-2-[(2-propan-2-yl-1,3-oxazol-4-yl)methoxycarbonylamino]butanoyl]amino]-4-phenylbutyl]amino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

669.35376 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 670.36104 262.5
[M+Na]+ 692.34298 256.4
[M-H]- 668.34648 268.6
[M+NH4]+ 687.38758 258.6
[M+K]+ 708.31692 259.9
[M+H-H2O]+ 652.35102 250.7
[M+HCOO]- 714.35196 274.2
[M+CH3COO]- 728.36761 283.9
[M+Na-2H]- 690.32843 254.7
[M]+ 669.35321 266.4
[M]- 669.35431 266.4
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.