PubChemLite - D-gln-d-lyscar-l-lyscar (C19H38N6O7)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C19H38N6O7/c20-9-3-1-5-13(24-17(27)15(22)7-8-16(23)26)11-31-18(28)25-14(6-2-4-10-21)12-32-19(29)30/h13-15H,1-12,20-22H2,(H2,23,26)(H,24,27)(H,25,28)(H,29,30)/t13-,14+,15-/m1/s1

InChIKey

NOAIPBRUFJNEBR-QLFBSQMISA-N

Compound name

[(2S)-6-amino-2-[[(2R)-6-amino-2-[[(2R)-2,5-diamino-5-oxopentanoyl]amino]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]+	463.28748	206.5
[M+Na]+	485.26942	220.6
[M-H]-	461.27292	217.6
[M+NH4]+	480.31402	207.2
[M+K]+	501.24336	210.0
[M+H-H2O]+	445.27746	203.2
[M+HCOO]-	507.27840	192.6
[M+CH3COO]-	521.29405	248.9
[M+Na-2H]-	483.25487	198.2
[M]+	462.27965	188.9
[M]-	462.28075	188.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

463.28748

206.5

[M+Na]+

485.26942

220.6

[M-H]-

461.27292

217.6

[M+NH4]+

480.31402

207.2

[M+K]+

501.24336

210.0

[M+H-H2O]+

445.27746

203.2

[M+HCOO]-

507.27840

192.6

[M+CH3COO]-

521.29405

248.9

[M+Na-2H]-

483.25487

198.2

[M]+

462.27965

188.9

[M]-

462.28075

188.9

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

D-gln-d-lyscar-l-lyscar

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe