CID 92489532

Z-gly-ala-pro-bna

Structural Information

Molecular Formula
C28H30N4O5
SMILES
C[C@@H](C(=O)N1CCC[C@H]1C(=O)NC2=CC3=CC=CC=C3C=C2)NC(=O)CNC(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C28H30N4O5/c1-19(30-25(33)17-29-28(36)37-18-20-8-3-2-4-9-20)27(35)32-15-7-12-24(32)26(34)31-23-14-13-21-10-5-6-11-22(21)16-23/h2-6,8-11,13-14,16,19,24H,7,12,15,17-18H2,1H3,(H,29,36)(H,30,33)(H,31,34)/t19-,24-/m0/s1
InChIKey
WQGSYWCDRRKYGG-CYFREDJKSA-N
Compound name
benzyl N-[2-[[(2S)-1-[(2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.22162 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.22890 219.2
[M+Na]+ 525.21084 225.6
[M+NH4]+ 520.25544 222.3
[M+K]+ 541.18478 223.1
[M-H]- 501.21434 222.9
[M+Na-2H]- 523.19629 223.4
[M]+ 502.22107 220.3
[M]- 502.22217 220.3
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.