CID 497892

Fvr-nh2

Structural Information

Molecular Formula
C20H33N7O3
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)N
InChI
InChI=1S/C20H33N7O3/c1-12(2)16(27-18(29)14(21)11-13-7-4-3-5-8-13)19(30)26-15(17(22)28)9-6-10-25-20(23)24/h3-5,7-8,12,14-16H,6,9-11,21H2,1-2H3,(H2,22,28)(H,26,30)(H,27,29)(H4,23,24,25)/t14-,15-,16-/m0/s1
InChIKey
CZKXJJSNJZVKPY-JYJNAYRXSA-N
Compound name
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

419.2645 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.27178 205.3
[M+Na]+ 442.25372 201.6
[M-H]- 418.25722 206.6
[M+NH4]+ 437.29832 211.7
[M+K]+ 458.22766 202.9
[M+H-H2O]+ 402.26176 194.8
[M+HCOO]- 464.26270 225.6
[M+CH3COO]- 478.27835 249.8
[M+Na-2H]- 440.23917 197.4
[M]+ 419.26395 197.9
[M]- 419.26505 197.9
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.