CID 95566024

Z-gly-ala-his-bna

Structural Information

Molecular Formula
C29H30N6O5
SMILES
C[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)NC2=CC3=CC=CC=C3C=C2)NC(=O)CNC(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C29H30N6O5/c1-19(33-26(36)16-31-29(39)40-17-20-7-3-2-4-8-20)27(37)35-25(14-24-15-30-18-32-24)28(38)34-23-12-11-21-9-5-6-10-22(21)13-23/h2-13,15,18-19,25H,14,16-17H2,1H3,(H,30,32)(H,31,39)(H,33,36)(H,34,38)(H,35,37)/t19-,25-/m0/s1
InChIKey
NSTUGGBZPGMBQT-DFBJGRDBSA-N
Compound name
benzyl N-[2-[[(2S)-1-[[(2S)-3-(1H-imidazol-5-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.2278 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.23508 225.4
[M+Na]+ 565.21702 231.6
[M+NH4]+ 560.26162 226.8
[M+K]+ 581.19096 230.1
[M-H]- 541.22052 228.6
[M+Na-2H]- 563.20247 230.7
[M]+ 542.22725 226.3
[M]- 542.22835 226.3
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.