CID 489996

Cbz-(2-nal)-leu-leu-h

Structural Information

Molecular Formula
C33H41N3O5
SMILES
CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC2=CC=CC=C2C=C1)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C33H41N3O5/c1-22(2)16-28(20-37)34-31(38)29(17-23(3)4)35-32(39)30(36-33(40)41-21-24-10-6-5-7-11-24)19-25-14-15-26-12-8-9-13-27(26)18-25/h5-15,18,20,22-23,28-30H,16-17,19,21H2,1-4H3,(H,34,38)(H,35,39)(H,36,40)/t28-,29-,30-/m0/s1
InChIKey
WTZNCDMJGHYUGF-DTXPUJKBSA-N
Compound name
benzyl N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

559.3046 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.31188 240.5
[M+Na]+ 582.29382 236.0
[M-H]- 558.29732 244.6
[M+NH4]+ 577.33842 242.8
[M+K]+ 598.26776 234.6
[M+H-H2O]+ 542.30186 229.5
[M+HCOO]- 604.30280 254.5
[M+CH3COO]- 618.31845 263.7
[M+Na-2H]- 580.27927 234.2
[M]+ 559.30405 241.9
[M]- 559.30515 241.9
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.