CID 25108713

Z-leu-arg-4mbna

Structural Information

Molecular Formula
C31H40N6O5
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC1=CC2=CC=CC=C2C(=C1)OC)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C31H40N6O5/c1-20(2)16-26(37-31(40)42-19-21-10-5-4-6-11-21)29(39)36-25(14-9-15-34-30(32)33)28(38)35-23-17-22-12-7-8-13-24(22)27(18-23)41-3/h4-8,10-13,17-18,20,25-26H,9,14-16,19H2,1-3H3,(H,35,38)(H,36,39)(H,37,40)(H4,32,33,34)/t25-,26-/m0/s1
InChIKey
QYBJEDHFUWYTQH-UIOOFZCWSA-N
Compound name
benzyl N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.306 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.313276 239.2
[M+Na]+ 599.295218 234.7
[M-H]- 575.298724 244.3
[M+NH4]+ 594.339823 240.6
[M+K]+ 615.269158 235.1
[M+H-H2O]+ 559.303260 227.4
[M+HCOO]- 621.304201 258.2
[M+CH3COO]- 635.319851 275.4
[M+Na-2H]- 597.280666 235.3
[M]+ 576.30545142 238.8
[M]- 576.30654858 238.8
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.