CID 467139

Phe-gser-phe

Structural Information

Molecular Formula
C20H26N4O3
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)NC(CO)NC(=O)[C@H](CC2=CC=CC=C2)N)N
InChI
InChI=1S/C20H26N4O3/c21-16(11-14-7-3-1-4-8-14)19(26)23-18(13-25)24-20(27)17(22)12-15-9-5-2-6-10-15/h1-10,16-18,25H,11-13,21-22H2,(H,23,26)(H,24,27)/t16-,17-/m0/s1
InChIKey
ANJCPVVLLMXLLU-IRXDYDNUSA-N
Compound name
(2S)-2-amino-N-[1-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-hydroxyethyl]-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.2005 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.20778 189.2
[M+Na]+ 393.18972 188.2
[M-H]- 369.19322 192.1
[M+NH4]+ 388.23432 197.5
[M+K]+ 409.16366 185.6
[M+H-H2O]+ 353.19776 179.6
[M+HCOO]- 415.19870 208.9
[M+CH3COO]- 429.21435 225.2
[M+Na-2H]- 391.17517 187.6
[M]+ 370.19995 183.3
[M]- 370.20105 183.3
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.