PubChemLite - Gamma-l-glutamyl-s-(2-carboxy-1-propyl)cysteinylglycine (C14H23N3O8S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C14H23N3O8S/c1-7(13(22)23)5-26-6-9(12(21)16-4-11(19)20)17-10(18)3-2-8(15)14(24)25/h7-9H,2-6,15H2,1H3,(H,16,21)(H,17,18)(H,19,20)(H,22,23)(H,24,25)

InChIKey

JQWABENXVMJJMW-UHFFFAOYSA-N

Compound name

2-amino-5-[[1-(carboxymethylamino)-3-(2-carboxypropylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic 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]+	394.12785	186.9
[M+Na]+	416.10979	215.5
[M+NH4]+	411.15439	210.2
[M+K]+	432.08373	208.7
[M-H]-	392.11329	212.0
[M+Na-2H]-	414.09524	180.1
[M]+	393.12002	207.3
[M]-	393.12112	207.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

394.12785

186.9

[M+Na]+

416.10979

215.5

[M+NH4]+

411.15439

210.2

[M+K]+

432.08373

208.7

[M-H]-

392.11329

212.0

[M+Na-2H]-

414.09524

180.1

[M]+

393.12002

207.3

[M]-

393.12112

207.3

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

Gamma-l-glutamyl-s-(2-carboxy-1-propyl)cysteinylglycine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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