PubChemLite - Galeapeptin gp655 (C31H57N7O8)

Structural Information

Molecular Formula

SMILES

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NCC(=O)O)NC(=O)C(C)N

InChI

InChI=1S/C31H57N7O8/c1-15(2)11-21(28(43)34-20(10)27(42)33-14-24(39)40)37-31(46)25(18(7)8)38-30(45)23(13-17(5)6)36-29(44)22(12-16(3)4)35-26(41)19(9)32/h15-23,25H,11-14,32H2,1-10H3,(H,33,42)(H,34,43)(H,35,41)(H,36,44)(H,37,46)(H,38,45)(H,39,40)

InChIKey

GBPFVGPPJZLIEH-UHFFFAOYSA-N

Compound name

2-[2-[[2-[[2-[[2-[[2-(2-aminopropanoylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]acetic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	656.43418	255.9
[M+Na]+	678.41612	253.2
[M-H]-	654.41962	245.7
[M+NH4]+	673.46072	239.9
[M+K]+	694.39006	248.2
[M+H-H2O]+	638.42416	236.1
[M+HCOO]-	700.42510	184.8
[M+CH3COO]-	714.44075	294.1
[M+Na-2H]-	676.40157	296.2
[M]+	655.42635	298.0
[M]-	655.42745	298.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

656.43418

255.9

[M+Na]+

678.41612

253.2

[M-H]-

654.41962

245.7

[M+NH4]+

673.46072

239.9

[M+K]+

694.39006

248.2

[M+H-H2O]+

638.42416

236.1

[M+HCOO]-

700.42510

184.8

[M+CH3COO]-

714.44075

294.1

[M+Na-2H]-

676.40157

296.2

[M]+

655.42635

298.0

[M]-

655.42745

298.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Galeapeptin gp655

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe