CID 95566012

Z-lys-pro-4mbna

Structural Information

Molecular Formula
C30H36N4O5
SMILES
COC1=CC(=CC2=CC=CC=C21)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C30H36N4O5/c1-38-27-19-23(18-22-12-5-6-13-24(22)27)32-28(35)26-15-9-17-34(26)29(36)25(14-7-8-16-31)33-30(37)39-20-21-10-3-2-4-11-21/h2-6,10-13,18-19,25-26H,7-9,14-17,20,31H2,1H3,(H,32,35)(H,33,37)/t25-,26-/m0/s1
InChIKey
FITGUNQHBCSKCG-UIOOFZCWSA-N
Compound name
benzyl N-[(2S)-6-amino-1-[(2S)-2-[(4-methoxynaphthalen-2-yl)carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.26855 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.27583 230.3
[M+Na]+ 555.25777 236.7
[M+NH4]+ 550.30237 233.4
[M+K]+ 571.23171 233.4
[M-H]- 531.26127 234.3
[M+Na-2H]- 553.24322 233.6
[M]+ 532.26800 231.6
[M]- 532.26910 231.6
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.