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 227.0
[M+Na]+ 555.25777 225.3
[M-H]- 531.26127 233.9
[M+NH4]+ 550.30237 231.1
[M+K]+ 571.23171 222.1
[M+H-H2O]+ 515.26581 215.6
[M+HCOO]- 577.26675 243.3
[M+CH3COO]- 591.28240 253.9
[M+Na-2H]- 553.24322 223.2
[M]+ 532.26800 226.4
[M]- 532.26910 226.4
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.