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 221.2
[M+Na]+ 565.21702 219.2
[M-H]- 541.22052 227.2
[M+NH4]+ 560.26162 222.4
[M+K]+ 581.19096 216.5
[M+H-H2O]+ 525.22506 209.4
[M+HCOO]- 587.22600 239.3
[M+CH3COO]- 601.24165 254.2
[M+Na-2H]- 563.20247 222.6
[M]+ 542.22725 220.9
[M]- 542.22835 220.9
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.