CID 489992

Cbz-leu-leu-ile-h

Structural Information

Molecular Formula
C26H41N3O5
SMILES
CC[C@H](C)[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C26H41N3O5/c1-7-19(6)23(15-30)28-24(31)21(13-17(2)3)27-25(32)22(14-18(4)5)29-26(33)34-16-20-11-9-8-10-12-20/h8-12,15,17-19,21-23H,7,13-14,16H2,1-6H3,(H,27,32)(H,28,31)(H,29,33)/t19-,21-,22-,23+/m0/s1
InChIKey
TYKAMJSEOBUAMA-XXTHSBEZSA-N
Compound name
benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S,3S)-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

475.30463 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.31191 224.3
[M+Na]+ 498.29385 220.5
[M-H]- 474.29735 225.1
[M+NH4]+ 493.33845 228.5
[M+K]+ 514.26779 221.1
[M+H-H2O]+ 458.30189 215.0
[M+HCOO]- 520.30283 211.3
[M+CH3COO]- 534.31848 249.3
[M+Na-2H]- 496.27930 214.3
[M]+ 475.30408 226.3
[M]- 475.30518 226.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.