CID 497889

Fpr-nh2

Structural Information

Molecular Formula
C20H31N7O3
SMILES
C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=CC=C2)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N
InChI
InChI=1S/C20H31N7O3/c21-14(12-13-6-2-1-3-7-13)19(30)27-11-5-9-16(27)18(29)26-15(17(22)28)8-4-10-25-20(23)24/h1-3,6-7,14-16H,4-5,8-12,21H2,(H2,22,28)(H,26,29)(H4,23,24,25)/t14-,15-,16-/m0/s1
InChIKey
MHQPKFITJNDTBC-JYJNAYRXSA-N
Compound name
(2S)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

417.24884 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.25612 198.4
[M+Na]+ 440.23806 195.5
[M-H]- 416.24156 201.9
[M+NH4]+ 435.28266 205.6
[M+K]+ 456.21200 195.0
[M+H-H2O]+ 400.24610 187.8
[M+HCOO]- 462.24704 218.0
[M+CH3COO]- 476.26269 243.1
[M+Na-2H]- 438.22351 192.1
[M]+ 417.24829 189.8
[M]- 417.24939 189.8
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.