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 217.1
[M+Na]+ 525.21084 215.5
[M-H]- 501.21434 224.6
[M+NH4]+ 520.25544 222.4
[M+K]+ 541.18478 212.9
[M+H-H2O]+ 485.21888 206.2
[M+HCOO]- 547.21982 233.9
[M+CH3COO]- 561.23547 247.0
[M+Na-2H]- 523.19629 214.9
[M]+ 502.22107 215.1
[M]- 502.22217 215.1
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.