CID 497867

Fsfr-nh2

Structural Information

Molecular Formula
C27H38N8O5
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)N
InChI
InChI=1S/C27H38N8O5/c28-19(14-17-8-3-1-4-9-17)24(38)35-22(16-36)26(40)34-21(15-18-10-5-2-6-11-18)25(39)33-20(23(29)37)12-7-13-32-27(30)31/h1-6,8-11,19-22,36H,7,12-16,28H2,(H2,29,37)(H,33,39)(H,34,40)(H,35,38)(H4,30,31,32)/t19-,20-,21-,22-/m0/s1
InChIKey
XLDQJUHFDCBYLZ-CMOCDZPBSA-N
Compound name
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

554.2965 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.30378 229.6
[M+Na]+ 577.28572 237.7
[M-H]- 553.28922 232.0
[M+NH4]+ 572.33032 228.9
[M+K]+ 593.25966 224.5
[M+H-H2O]+ 537.29376 217.8
[M+HCOO]- 599.29470 248.1
[M+CH3COO]- 613.31035 273.6
[M+Na-2H]- 575.27117 272.6
[M]+ 554.29595 276.5
[M]- 554.29705 276.5
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.