CID 5490906

Antiarrhythmic peptide

Structural Information

Molecular Formula
C19H30N6O8
SMILES
C[C@@H](C(=O)NCC(=O)O)NC(=O)CNC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H]2CCCN2C(=O)CN)O
InChI
InChI=1S/C19H30N6O8/c1-10(17(31)22-8-16(29)30)23-14(27)7-21-18(32)13-5-11(26)9-25(13)19(33)12-3-2-4-24(12)15(28)6-20/h10-13,26H,2-9,20H2,1H3,(H,21,32)(H,22,31)(H,23,27)(H,29,30)/t10-,11+,12-,13-/m0/s1
InChIKey
YQAXFVHNHSPUPO-RNJOBUHISA-N
Compound name
2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]propanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

1275
Patents

470.21252 Da
Monoisotopic Mass

-5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.21980 201.9
[M+Na]+ 493.20174 197.1
[M+NH4]+ 488.24634 199.0
[M+K]+ 509.17568 205.7
[M-H]- 469.20524 196.5
[M+Na-2H]- 491.18719 195.7
[M]+ 470.21197 197.7
[M]- 470.21307 197.7
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

patents stripe