CID 3010513

Z-phe-d-arg(no2)

Structural Information

Molecular Formula
C23H28N6O6
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C23H28N6O6/c24-22(25)26-13-7-12-18(21(31)29(33)34)27-20(30)19(14-16-8-3-1-4-9-16)28-23(32)35-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,27,30)(H,28,32)(H4,24,25,26)/t18-,19+/m1/s1
InChIKey
NYGYGBMHEVKMQD-MOPGFXCFSA-N
Compound name
benzyl N-[(2S)-1-[[(2R)-5-(diaminomethylideneamino)-1-nitro-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

484.20703 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.21431 209.5
[M+Na]+ 507.19625 205.0
[M-H]- 483.19975 214.1
[M+NH4]+ 502.24085 212.6
[M+K]+ 523.17019 200.9
[M+H-H2O]+ 467.20429 202.3
[M+HCOO]- 529.20523 232.3
[M+CH3COO]- 543.22088 242.8
[M+Na-2H]- 505.18170 209.5
[M]+ 484.20648 204.8
[M]- 484.20758 204.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.