CID 454053

(ac)proglnilethrleu

Structural Information

Molecular Formula
C28H48N6O9
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)C
InChI
InChI=1S/C28H48N6O9/c1-7-15(4)22(26(40)33-23(16(5)35)27(41)31-19(28(42)43)13-14(2)3)32-24(38)18(10-11-21(29)37)30-25(39)20-9-8-12-34(20)17(6)36/h14-16,18-20,22-23,35H,7-13H2,1-6H3,(H2,29,37)(H,30,39)(H,31,41)(H,32,38)(H,33,40)(H,42,43)/t15-,16+,18-,19-,20-,22-,23-/m0/s1
InChIKey
FFQRACMGLDAGFJ-HTMIPXFUSA-N
Compound name
(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-5-amino-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

612.34827 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 613.35555 240.3
[M+Na]+ 635.33749 238.2
[M-H]- 611.34099 243.2
[M+NH4]+ 630.38209 240.4
[M+K]+ 651.31143 235.7
[M+H-H2O]+ 595.34553 219.9
[M+HCOO]- 657.34647 200.9
[M+CH3COO]- 671.36212 276.4
[M+Na-2H]- 633.32294 270.3
[M]+ 612.34772 273.3
[M]- 612.34882 273.3
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.