CID 482959

165315-30-0

Structural Information

Molecular Formula
C35H44N6O7
SMILES
C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=NO3)O)NC(=O)N(C)CC4=COC(=N4)C(C)C
InChI
InChI=1S/C35H44N6O7/c1-23(2)33-39-28(21-46-33)20-41(4)34(44)37-24(3)32(43)38-27(17-25-11-7-5-8-12-25)19-31(42)30(18-26-13-9-6-10-14-26)40-35(45)47-22-29-15-16-36-48-29/h5-16,21,23-24,27,30-31,42H,17-20,22H2,1-4H3,(H,37,44)(H,38,43)(H,40,45)/t24-,27-,30-,31-/m0/s1
InChIKey
VCKHPHWDYKCQKY-WQMHXLODSA-N
Compound name
1,2-oxazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-2-[[methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

38
Patents

660.32715 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 661.33443 257.8
[M+Na]+ 683.31637 251.7
[M-H]- 659.31987 268.8
[M+NH4]+ 678.36097 252.7
[M+K]+ 699.29031 255.3
[M+H-H2O]+ 643.32441 246.0
[M+HCOO]- 705.32535 273.1
[M+CH3COO]- 719.34100 278.6
[M+Na-2H]- 681.30182 251.3
[M]+ 660.32660 263.4
[M]- 660.32770 263.4
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.