CID 3010509

Z-d-phe-phe-arg(no2)

Structural Information

Molecular Formula
C32H37N7O7
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)[C@@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C32H37N7O7/c33-31(34)35-18-10-17-25(30(42)39(44)45)36-28(40)26(19-22-11-4-1-5-12-22)37-29(41)27(20-23-13-6-2-7-14-23)38-32(43)46-21-24-15-8-3-9-16-24/h1-9,11-16,25-27H,10,17-21H2,(H,36,40)(H,37,41)(H,38,43)(H4,33,34,35)/t25-,26-,27+/m0/s1
InChIKey
NVXRLNSBOVXFJN-GMQQYTKMSA-N
Compound name
benzyl N-[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-nitro-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

631.27545 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 632.28273 240.9
[M+Na]+ 654.26467 231.5
[M-H]- 630.26817 247.1
[M+NH4]+ 649.30927 236.7
[M+K]+ 670.23861 228.7
[M+H-H2O]+ 614.27271 231.9
[M+HCOO]- 676.27365 260.9
[M+CH3COO]- 690.28930 271.6
[M+Na-2H]- 652.25012 281.8
[M]+ 631.27490 235.4
[M]- 631.27600 235.4
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.