PubChemLite - L-argcar-d-lyscar-l-lyscar (C21H44N8O7)

Structural Information

Molecular Formula

SMILES

C(CCN)C[C@H](COC(=O)N[C@@H](CCCCN)COC(=O)O)NC(=O)OC[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C21H44N8O7/c22-9-3-1-7-16(28-19(30)34-12-15(24)6-5-11-27-18(25)26)13-35-20(31)29-17(8-2-4-10-23)14-36-21(32)33/h15-17H,1-14,22-24H2,(H,28,30)(H,29,31)(H,32,33)(H4,25,26,27)/t15-,16+,17-/m0/s1

InChIKey

CIUALRYBFZGZHF-BBWFWOEESA-N

Compound name

[(2S)-6-amino-2-[[(2R)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentoxy]carbonylamino]hexoxy]carbonylamino]hexyl] hydrogen carbonate

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]+	521.34058	214.2
[M+Na]+	543.32252	230.6
[M-H]-	519.32602	228.5
[M+NH4]+	538.36712	214.3
[M+K]+	559.29646	218.8
[M+H-H2O]+	503.33056	209.7
[M+HCOO]-	565.33150	197.2
[M+CH3COO]-	579.34715	265.8
[M+Na-2H]-	541.30797	206.0
[M]+	520.33275	192.7
[M]-	520.33385	192.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

521.34058

214.2

[M+Na]+

543.32252

230.6

[M-H]-

519.32602

228.5

[M+NH4]+

538.36712

214.3

[M+K]+

559.29646

218.8

[M+H-H2O]+

503.33056

209.7

[M+HCOO]-

565.33150

197.2

[M+CH3COO]-

579.34715

265.8

[M+Na-2H]-

541.30797

206.0

[M]+

520.33275

192.7

[M]-

520.33385

192.7

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

L-argcar-d-lyscar-l-lyscar

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe