CID 455771

Cbz-ile-phe-h

Structural Information

Molecular Formula
C23H28N2O4
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C=O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C23H28N2O4/c1-3-17(2)21(25-23(28)29-16-19-12-8-5-9-13-19)22(27)24-20(15-26)14-18-10-6-4-7-11-18/h4-13,15,17,20-21H,3,14,16H2,1-2H3,(H,24,27)(H,25,28)/t17-,20-,21-/m0/s1
InChIKey
MEMUXFLYMSWMLP-YYWHXJBOSA-N
Compound name
benzyl N-[(2S,3S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]pentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

396.2049 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.21218 199.3
[M+Na]+ 419.19412 199.2
[M-H]- 395.19762 204.1
[M+NH4]+ 414.23872 208.3
[M+K]+ 435.16806 196.9
[M+H-H2O]+ 379.20216 189.4
[M+HCOO]- 441.20310 218.9
[M+CH3COO]- 455.21875 227.1
[M+Na-2H]- 417.17957 197.4
[M]+ 396.20435 200.1
[M]- 396.20545 200.1
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.