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]+ 577.31328 239.2
[M+Na]+ 599.29522 234.7
[M-H]- 575.29872 244.3
[M+NH4]+ 594.33982 240.6
[M+K]+ 615.26916 235.1
[M+H-H2O]+ 559.30326 227.4
[M+HCOO]- 621.30420 258.2
[M+CH3COO]- 635.31985 275.4
[M+Na-2H]- 597.28067 235.3
[M]+ 576.30545 238.8
[M]- 576.30655 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.