CID 475584

162739-28-8

Structural Information

Molecular Formula
C39H50N6O6
SMILES
CC(C)C1=NC(=CO1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)NN(CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)O
InChI
InChI=1S/C39H50N6O6/c1-27(2)35(42-38(48)44(5)23-32-26-50-37(40-32)28(3)4)36(47)43-45(22-30-17-11-7-12-18-30)24-34(46)33(21-29-15-9-6-10-16-29)41-39(49)51-25-31-19-13-8-14-20-31/h6-20,26-28,33-35,46H,21-25H2,1-5H3,(H,41,49)(H,42,48)(H,43,47)/t33-,34-,35-/m0/s1
InChIKey
RYVYDCSMLLPTLY-IMKBVMFZSA-N
Compound name
benzyl N-[(2S,3S)-4-[benzyl-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

698.3792 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 699.38648 268.7
[M+Na]+ 721.36842 259.6
[M-H]- 697.37192 279.2
[M+NH4]+ 716.41302 262.7
[M+K]+ 737.34236 263.1
[M+H-H2O]+ 681.37646 255.4
[M+HCOO]- 743.37740 283.7
[M+CH3COO]- 757.39305 292.8
[M+Na-2H]- 719.35387 261.4
[M]+ 698.37865 271.4
[M]- 698.37975 271.4
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.