CID 481958

(4-phenyl-1h-imidazol-2-yl)methyl n-[(1s)-1-[[(1s,2r)-1-benzyl-3-[[(2r,3s)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]amino]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]carbamate

Structural Information

Molecular Formula
C41H54N6O7
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CNC[C@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)O)NC(=O)OCC3=NC=C(N3)C4=CC=CC=C4
InChI
InChI=1S/C41H54N6O7/c1-27(2)37(47-39(51)53-26-36-43-23-33(44-36)30-19-13-8-14-20-30)38(50)45-31(21-28-15-9-6-10-16-28)34(48)24-42-25-35(49)32(22-29-17-11-7-12-18-29)46-40(52)54-41(3,4)5/h6-20,23,27,31-32,34-35,37,42,48-49H,21-22,24-26H2,1-5H3,(H,43,44)(H,45,50)(H,46,52)(H,47,51)/t31-,32-,34+,35+,37-/m0/s1
InChIKey
JKUUNONLYYXQQW-PQEJYAOWSA-N
Compound name
tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[[(2S)-3-methyl-2-[(5-phenyl-1H-imidazol-2-yl)methoxycarbonylamino]butanoyl]amino]-4-phenylbutyl]amino]-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

742.4054 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 743.41268 259.2
[M+Na]+ 765.39462 265.0
[M-H]- 741.39812 261.4
[M+NH4]+ 760.43922 263.0
[M+K]+ 781.36856 256.9
[M+H-H2O]+ 725.40266 235.0
[M+HCOO]- 787.40360 263.9
[M+CH3COO]- 801.41925 288.8
[M+Na-2H]- 763.38007 282.4
[M]+ 742.40485 298.4
[M]- 742.40595 298.4
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.