CID 489994

Cbz-leu-leu-gly-h

Structural Information

Molecular Formula
C22H33N3O5
SMILES
CC(C)C[C@@H](C(=O)NCC=O)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C22H33N3O5/c1-15(2)12-18(20(27)23-10-11-26)24-21(28)19(13-16(3)4)25-22(29)30-14-17-8-6-5-7-9-17/h5-9,11,15-16,18-19H,10,12-14H2,1-4H3,(H,23,27)(H,24,28)(H,25,29)/t18-,19-/m0/s1
InChIKey
KCZPDOXBSNGKKC-OALUTQOASA-N
Compound name
benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

419.24203 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.24931 206.8
[M+Na]+ 442.23125 205.1
[M-H]- 418.23475 208.3
[M+NH4]+ 437.27585 214.9
[M+K]+ 458.20519 205.0
[M+H-H2O]+ 402.23929 197.6
[M+HCOO]- 464.24023 224.9
[M+CH3COO]- 478.25588 236.0
[M+Na-2H]- 440.21670 201.0
[M]+ 419.24148 208.6
[M]- 419.24258 208.6
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.