CID 92489530

Z-ala-pro-4mbna

Structural Information

Molecular Formula
C27H29N3O5
SMILES
C[C@@H](C(=O)N1CCC[C@H]1C(=O)NC2=CC3=CC=CC=C3C(=C2)OC)NC(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C27H29N3O5/c1-18(28-27(33)35-17-19-9-4-3-5-10-19)26(32)30-14-8-13-23(30)25(31)29-21-15-20-11-6-7-12-22(20)24(16-21)34-2/h3-7,9-12,15-16,18,23H,8,13-14,17H2,1-2H3,(H,28,33)(H,29,31)/t18-,23-/m0/s1
InChIKey
JGMPJPOIQUVXIJ-MBSDFSHPSA-N
Compound name
benzyl N-[(2S)-1-[(2S)-2-[(4-methoxynaphthalen-2-yl)carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.21072 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.21800 213.0
[M+Na]+ 498.19994 213.8
[M-H]- 474.20344 221.1
[M+NH4]+ 493.24454 220.2
[M+K]+ 514.17388 210.8
[M+H-H2O]+ 458.20798 202.4
[M+HCOO]- 520.20892 229.9
[M+CH3COO]- 534.22457 240.4
[M+Na-2H]- 496.18539 210.5
[M]+ 475.21017 213.0
[M]- 475.21127 213.0
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.